BAS 09530340
TL;DR: BAS 09530340 (CAS 445035-32-5) is a chemical compound with molecular formula C19H18F2N6OS and molecular weight 416.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: BAS 09530340, N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide, N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide, N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
| Molecular Formula | C19H18F2N6OS |
|---|---|
| Molecular Weight | 416.12 g/mol |
| LogP | 4.0707 |
| Topological Polar Surface Area | 95.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.12308 |
| Heavy Atoms | 29 |
| Complexity | 1145.9622 |
Chemical Identifiers
| CAS Number | 445035-32-5 |
|---|---|
| SMILES | CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=NN4C(=CC(=NC4=N3)C)C(F)F |
Product Overview
BAS 09530340 (CAS 445035-32-5), with molecular formula C19H18F2N6OS and molecular weight 416.12 g/mol. IUPAC: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of BAS 09530340
Property Insights of BAS 09530340
The XLogP value of 4.0707 indicates that BAS 09530340 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.97 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 09530340. Following Lipinski's Rule of Five, BAS 09530340 has 1 hydrogen bond donor(s) and 6 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 09530340?
The CAS number of BAS 09530340 is 445035-32-5.
What is the molecular formula of BAS 09530340?
The molecular formula of BAS 09530340 is C19H18F2N6OS.
What is the molecular weight of BAS 09530340?
The molecular weight of BAS 09530340 is 416.12 g/mol.
Where can I buy BAS 09530340?
You can request a quote for BAS 09530340 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09530340?
Yes, KEHONG BIO provides custom synthesis services for BAS 09530340 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.