ChemDiv2_004817
TL;DR: ChemDiv2_004817 (CAS 625377-14-2) is a chemical compound with molecular formula C23H26N4O3S and molecular weight 438.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[5-cyano-2,4-dimethyl-6-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]-3-pyridinyl]propanoate
Also Known As: ChemDiv2_004817, IDI1_003532, AM-807/41463179, ethyl 3-(5-cyano-2,4-dimethyl-6-{[3-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)propyl]sulfanyl}pyridin-3-yl)propanoate, ethyl 3-(5-cyano-2,4-dimethyl-6-{[3-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)propyl]thio}-3-pyridinyl)propanoate
| Molecular Formula | C23H26N4O3S |
|---|---|
| Molecular Weight | 438.17 g/mol |
| LogP | 3.89122 |
| Topological Polar Surface Area | 100.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 438.17258 |
| Heavy Atoms | 31 |
| Complexity | 1189.9753 |
Chemical Identifiers
| CAS Number | 625377-14-2 |
|---|---|
| SMILES | CCOC(=O)CCC1=C(C(=C(N=C1C)SCCCN2C3=CC=CC=C3NC2=O)C#N)C |
Product Overview
ChemDiv2_004817 (CAS 625377-14-2), with molecular formula C23H26N4O3S and molecular weight 438.17 g/mol. IUPAC: ethyl 3-[5-cyano-2,4-dimethyl-6-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]-3-pyridinyl]propanoate.
Chemical Property Profile of ChemDiv2_004817
Property Insights of ChemDiv2_004817
The XLogP value of 3.89122 indicates that ChemDiv2_004817 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.77 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004817. Following Lipinski's Rule of Five, ChemDiv2_004817 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 ChemDiv2_004817?
The CAS number of ChemDiv2_004817 is 625377-14-2.
What is the molecular formula of ChemDiv2_004817?
The molecular formula of ChemDiv2_004817 is C23H26N4O3S.
What is the molecular weight of ChemDiv2_004817?
The molecular weight of ChemDiv2_004817 is 438.17 g/mol.
Where can I buy ChemDiv2_004817?
You can request a quote for ChemDiv2_004817 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004817?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004817 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.