Flovagatran
TL;DR: Flovagatran (CAS 871576-03-3) is a chemical compound with molecular formula C27H36BN3O7 and molecular weight 525.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R)-4-methoxy-1-[[(2S)-1-[(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carbonyl]amino]butyl]boronic acid
Also Known As: Flovagatran, Flovagatran [INN], flovagatranum, L-Prolinamide,N-[(phenylmethoxy)carbonyl]-D-phenylalanyl-N-[(1R)-1-borono-4-methoxybutyl]-, [(1R)-4-methoxy-1-[[(2S)-1-[(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carbonyl]amino]butyl]boronic acid
| Molecular Formula | C27H36BN3O7 |
|---|---|
| Molecular Weight | 525.26 g/mol |
| LogP | 1.4385 |
| Topological Polar Surface Area | 137.43 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 525.26465 |
| Heavy Atoms | 38 |
| Complexity | 1025.846 |
Chemical Identifiers
| CAS Number | 871576-03-3 |
|---|---|
| SMILES | B([C@H](CCCOC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)(O)O |
Product Overview
Flovagatran (CAS 871576-03-3), with molecular formula C27H36BN3O7 and molecular weight 525.26 g/mol. IUPAC: [(1R)-4-methoxy-1-[[(2S)-1-[(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carbonyl]amino]butyl]boronic acid.
Chemical Property Profile of Flovagatran
Property Insights of Flovagatran
The XLogP value of 1.4385 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Flovagatran. The TPSA of 137.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Flovagatran. Following Lipinski's Rule of Five, Flovagatran has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Flovagatran?
The CAS number of Flovagatran is 871576-03-3.
What is the molecular formula of Flovagatran?
The molecular formula of Flovagatran is C27H36BN3O7.
What is the molecular weight of Flovagatran?
The molecular weight of Flovagatran is 525.26 g/mol.
Where can I buy Flovagatran?
You can request a quote for Flovagatran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Flovagatran?
Yes, KEHONG BIO provides custom synthesis services for Flovagatran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.