Research chemical
CAS Number: 1373926-49-8
Product details
For laboratory research and professional procurement workflows.
PubChem CID
146026285
Exact Mass
898.406141
InChIKey
XBNXUPIBUGBMCO-WYDLTDSDSA-N
IUPAC Name
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S)-2-(butanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanamide;2,2,2-trifluoroacetic acid
SMILES String
CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)CC(N)=O.O=C(O)C(F)(F)F
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
RO27-3225 Tfa is identified by CAS 1373926-49-8, with molecular formula C41H53F3N12O8, molecular weight 898.9, InChIKey XBNXUPIBUGBMCO-WYDLTDSDSA-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.
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
64
H-bond acceptors
20
H-bond donors
13
Rotatable bonds
22
Ring count
4
Aromatic rings
4
Topological polar surface area
323.47 Ų
Computed LogP
0.5
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
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
RO27-3225 Tfa (CAS 1373926-49-8) is maintained as a commercial cas reference with formula C41H53F3N12O8, molecular weight 898. 90 g/mol, PubChem CID 146026285.
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 nitrogen-containing heterocycle.
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.