Research chemical
CAS Number: 627871-22-1
![(R)-2-(5-Cyano-6-fluoro-8-methyl-1-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acid molecular structure, CAS 627871-22-1](/structure-images/627871-22-1.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
5273775
Exact Mass
330.137971
InChIKey
BLMMDSMMSYATKY-GOSISDBHSA-N
IUPAC Name
2-[(1R)-5-cyano-6-fluoro-8-methyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid
SMILES String
CCC[C@]1(CC(=O)O)OCCc2c1[nH]c1c(C)cc(F)c(C#N)c21
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
(R)-2-(5-Cyano-6-fluoro-8-methyl-1-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acid is identified by CAS 627871-22-1, with molecular formula C18H19FN2O3, molecular weight 330.4, InChIKey BLMMDSMMSYATKY-GOSISDBHSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Appearance
White to off-white solid
Physical State
Solid
Melting Point
180.0 °C
Boiling Point
550.0 °C
Density
1.37 g/cm³
Water Solubility
Sparingly soluble
Flash Point
311.2 °C
Vapor Pressure
Estimated very low; unit not specified
Autoignition Temp
420.0 °C
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
24
H-bond acceptors
5
H-bond donors
2
Rotatable bonds
4
Ring count
3
Aromatic rings
2
Topological polar surface area
86.11 Ų
Computed LogP
3.53
Fragment-like structure rule
No
Lead-like structure rule
Yes
Drug-like structure rule
Yes
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
(R)-2-(5-Cyano-6-fluoro-8-methyl-1-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acid is a complex organic compound featuring a pyrano[3,4-b]indole core. With a molecular formula of C18H19FN2O3 and a molecular weight of 330.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Primarily intended for Research Use Only (RUO), (R)-2-(5-Cyano-6-fluoro-8-methyl-1-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acid is suitable for applications in synthetic organic chemistry, medicinal chemistry, and early-stage drug discovery.
Documentation needs
Handle with appropriate personal protective equipment (PPE) including gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood to avoid inhalation. Avoid contact with skin and eyes.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestCompliance: standard-ruo
Shipment review: Required
Certificate of Analysis (COA): By request
Supplier Safety Data Sheet (SDS): By request
Purity and pack size confirmation: By request
Availability and lead time review: Confirmed by RFQ
Shipment documentation review: By request
For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference
DSL: pending; AICS: pending; ENCS: pending; ICSR: pending; TSCA: pending; IECSC: pending; INSQR: pending; REACH: pending; K-REACH: pending; SEA_Regulatory: pending
Registration values are catalog reference status cues and may require jurisdiction-specific review.