ChemDiv1_010833
TL;DR: ChemDiv1_010833 (CAS 201281-13-2) is a chemical compound with molecular formula C25H23N3O4S and molecular weight 461.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[3-cyano-4-(4-methoxyphenyl)-6-methyl-5-(phenylcarbamoyl)-2-pyridinyl]sulfanyl]acetate
Also Known As: ChemDiv1_010833, AE-848/07783053, ethyl 2-((3-cyano-4-(4-methoxyphenyl)-6-methyl-5-(phenylcarbamoyl)pyridin-2-yl)thio)acetate, ethyl {[3-cyano-4-(4-methoxyphenyl)-6-methyl-5-(phenylcarbamoyl)pyridin-2-yl]sulfanyl}acetate, ethyl {[5-(anilinocarbonyl)-3-cyano-4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]sulfanyl}acetate
| Molecular Formula | C25H23N3O4S |
|---|---|
| Molecular Weight | 461.14 g/mol |
| LogP | 4.8448 |
| Topological Polar Surface Area | 101.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 461.14093 |
| Heavy Atoms | 33 |
| Complexity | 1189.0142 |
Chemical Identifiers
| CAS Number | 201281-13-2 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC(=C(C(=C1C#N)C2=CC=C(C=C2)OC)C(=O)NC3=CC=CC=C3)C |
Product Overview
ChemDiv1_010833 (CAS 201281-13-2), with molecular formula C25H23N3O4S and molecular weight 461.14 g/mol. IUPAC: ethyl 2-[[3-cyano-4-(4-methoxyphenyl)-6-methyl-5-(phenylcarbamoyl)-2-pyridinyl]sulfanyl]acetate.
Chemical Property Profile of ChemDiv1_010833
Property Insights of ChemDiv1_010833
The XLogP value of 4.8448 indicates that ChemDiv1_010833 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.31 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010833. Following Lipinski's Rule of Five, ChemDiv1_010833 has 1 hydrogen bond donor(s) and 7 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 ChemDiv1_010833?
The CAS number of ChemDiv1_010833 is 201281-13-2.
What is the molecular formula of ChemDiv1_010833?
The molecular formula of ChemDiv1_010833 is C25H23N3O4S.
What is the molecular weight of ChemDiv1_010833?
The molecular weight of ChemDiv1_010833 is 461.14 g/mol.
Where can I buy ChemDiv1_010833?
You can request a quote for ChemDiv1_010833 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010833?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010833 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.