Research chemical
CAS Number: 85447-27-4
Product details
For laboratory research and professional procurement workflows.
PubChem CID
73813222
Exact Mass
584.238825
InChIKey
CWWDVANTGWQWKM-UHFFFAOYSA-N
IUPAC Name
[5-acetyloxy-4a-(acetyloxymethyl)-4-(chloromethyl)-4-hydroxy-8-[2-hydroxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] 2-methylbut-2-enoate
SMILES String
CC=C(C)C(=O)OC1CCC(O)(CCl)C2(COC(C)=O)C(OC(C)=O)CC(C)C(C)(CC(O)C3=CC(=O)OC3)C12
No physical property values available.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Ajugamarin chlorohydrin is identified by CAS 85447-27-4, with molecular formula C29H41ClO10, molecular weight 585.1, InChIKey CWWDVANTGWQWKM-UHFFFAOYSA-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.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
40
H-bond acceptors
10
H-bond donors
2
Rotatable bonds
9
Ring count
3
Aromatic rings
0
Topological polar surface area
145.66 Ų
Computed LogP
3.01
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
Structure family
other structure rule
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
No
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
Ajugamarin chlorohydrin (CAS 85447-27-4) is maintained as a commercial cas reference with formula C29H41ClO10, molecular weight 585. 10 g/mol, PubChem CID 73813222.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include drug-like rule profile.
Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.