ChemDiv1_004869
TL;DR: ChemDiv1_004869 (CAS 361477-82-9) is a chemical compound with molecular formula C24H20N4O3S and molecular weight 444.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-diamino-4-(4-ethoxyphenyl)-2-(4-methoxybenzoyl)thieno[2,3-b]pyridine-5-carbonitrile
Also Known As: ChemDiv1_004869, 3,6-diamino-4-(4-ethoxyphenyl)-2-(4-methoxybenzoyl)thieno[2,3-b]pyridine-5-carbonitrile, 3,6-diamino-2-(p-anisoyl)-4-(p-ethoxyphenyl)-1-thia-7-aza-5-indenecarbonitrile, 3,6-Diamino-4-(4-ethoxy-phenyl)-2-(4-methoxy-benzoyl)-thieno[2,3-b]pyridine-5-carbonitrile, 3,6-diamino-4-(4-ethoxyphenyl)-2-[(4-methoxyphenyl)carbonyl]thieno[2,3-b]pyridine-5-carbonitrile
| Molecular Formula | C24H20N4O3S |
|---|---|
| Molecular Weight | 444.13 g/mol |
| LogP | 4.63768 |
| Topological Polar Surface Area | 124.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.1256 |
| Heavy Atoms | 32 |
| Complexity | 1353.7612 |
Chemical Identifiers
| CAS Number | 361477-82-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=C(C(=NC3=C2C(=C(S3)C(=O)C4=CC=C(C=C4)OC)N)N)C#N |
Product Overview
ChemDiv1_004869 (CAS 361477-82-9), with molecular formula C24H20N4O3S and molecular weight 444.13 g/mol. IUPAC: 3,6-diamino-4-(4-ethoxyphenyl)-2-(4-methoxybenzoyl)thieno[2,3-b]pyridine-5-carbonitrile.
Chemical Property Profile of ChemDiv1_004869
Property Insights of ChemDiv1_004869
The XLogP value of 4.63768 indicates that ChemDiv1_004869 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.25 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004869. Following Lipinski's Rule of Five, ChemDiv1_004869 has 2 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 ChemDiv1_004869?
The CAS number of ChemDiv1_004869 is 361477-82-9.
What is the molecular formula of ChemDiv1_004869?
The molecular formula of ChemDiv1_004869 is C24H20N4O3S.
What is the molecular weight of ChemDiv1_004869?
The molecular weight of ChemDiv1_004869 is 444.13 g/mol.
Where can I buy ChemDiv1_004869?
You can request a quote for ChemDiv1_004869 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004869?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004869 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.