BAS 07418122
TL;DR: BAS 07418122 (CAS 625376-47-8) is a chemical compound with molecular formula C13H12F3N3O3S and molecular weight 347.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]carbamate
Also Known As: BAS 07418122, AM-807/41461987, [2-(3-Cyano-6-methyl-4-trifluoromethyl-pyridin-2-ylsulfanyl)-acetyl]-carbamic acid ethyl ester, ethyl N-[2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]carbamate, ethyl N-(2-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetyl)carbamate
| Molecular Formula | C13H12F3N3O3S |
|---|---|
| Molecular Weight | 347.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.05515 |
| Heavy Atoms | 23 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 625376-47-8 |
|---|---|
| SMILES | CCOC(=O)NC(=O)CSC1=NC(=CC(=C1C#N)C(F)(F)F)C |
| InChIKey | ANHPPXHRLJXKPP-UHFFFAOYSA-N |
Product Overview
BAS 07418122 (CAS 625376-47-8), with molecular formula C13H12F3N3O3S and molecular weight 347.06 g/mol. IUPAC: ethyl N-[2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]carbamate.
Chemical Property Profile of BAS 07418122
Property Insights of BAS 07418122
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 07418122. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07418122. Following Lipinski's Rule of Five, BAS 07418122 has 1 hydrogen bond donor(s) and 9 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 07418122?
The CAS number of BAS 07418122 is 625376-47-8.
What is the molecular formula of BAS 07418122?
The molecular formula of BAS 07418122 is C13H12F3N3O3S.
What is the molecular weight of BAS 07418122?
The molecular weight of BAS 07418122 is 347.06 g/mol.
Where can I buy BAS 07418122?
You can request a quote for BAS 07418122 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07418122?
Yes, KEHONG BIO provides custom synthesis services for BAS 07418122 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.