BAS 01107764
TL;DR: BAS 01107764 (CAS 336180-72-4) is a chemical compound with molecular formula C27H26N4O3S and molecular weight 486.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-5-cyano-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanylmethyl]-4-phenyl-4H-pyran-3-carboxylate
Also Known As: BAS 01107764, Ethyl 6-amino-5-cyano-2-(((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)methyl)-4-phenyl-4H-pyran-3-carboxylate, ethyl 6-amino-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4-phenyl-4H-pyran-3-carboxylate, A0369/0017029, ethyl 6-amino-5-cyano-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanylmethyl]-4-phenyl-4H-pyran-3-carboxylate
| Molecular Formula | C27H26N4O3S |
|---|---|
| Molecular Weight | 486.17 g/mol |
| LogP | 4.63936 |
| Topological Polar Surface Area | 122.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 486.17258 |
| Heavy Atoms | 35 |
| Complexity | 1271.812 |
Chemical Identifiers
| CAS Number | 336180-72-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2)C#N)N)CSC3=C(C=C4CCCCCC4=N3)C#N |
Product Overview
BAS 01107764 (CAS 336180-72-4), with molecular formula C27H26N4O3S and molecular weight 486.17 g/mol. IUPAC: ethyl 6-amino-5-cyano-2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanylmethyl]-4-phenyl-4H-pyran-3-carboxylate.
Chemical Property Profile of BAS 01107764
Property Insights of BAS 01107764
The XLogP value of 4.63936 indicates that BAS 01107764 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.02 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01107764. Following Lipinski's Rule of Five, BAS 01107764 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01107764?
The CAS number of BAS 01107764 is 336180-72-4.
What is the molecular formula of BAS 01107764?
The molecular formula of BAS 01107764 is C27H26N4O3S.
What is the molecular weight of BAS 01107764?
The molecular weight of BAS 01107764 is 486.17 g/mol.
Where can I buy BAS 01107764?
You can request a quote for BAS 01107764 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01107764?
Yes, KEHONG BIO provides custom synthesis services for BAS 01107764 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.