ChemDiv1_028652
TL;DR: ChemDiv1_028652 (CAS 383893-84-3) is a chemical compound with molecular formula C23H18FN5O3S and molecular weight 463.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-diamino-5-cyano-4-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
Also Known As: ChemDiv1_028652, 3,6-diamino-5-cyano-4-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
| Molecular Formula | C23H18FN5O3S |
|---|---|
| Molecular Weight | 463.11 g/mol |
| LogP | 4.40798 |
| Topological Polar Surface Area | 136.28 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 463.11145 |
| Heavy Atoms | 33 |
| Complexity | 1427.2941 |
Chemical Identifiers
| CAS Number | 383893-84-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=C(C(=NC3=C2C(=C(S3)C(=O)NC4=CC=C(C=C4)F)N)N)C#N)OC |
Product Overview
ChemDiv1_028652 (CAS 383893-84-3), with molecular formula C23H18FN5O3S and molecular weight 463.11 g/mol. IUPAC: 3,6-diamino-5-cyano-4-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide.
Chemical Property Profile of ChemDiv1_028652
Property Insights of ChemDiv1_028652
The XLogP value of 4.40798 indicates that ChemDiv1_028652 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.28 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_028652. Following Lipinski's Rule of Five, ChemDiv1_028652 has 3 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_028652?
The CAS number of ChemDiv1_028652 is 383893-84-3.
What is the molecular formula of ChemDiv1_028652?
The molecular formula of ChemDiv1_028652 is C23H18FN5O3S.
What is the molecular weight of ChemDiv1_028652?
The molecular weight of ChemDiv1_028652 is 463.11 g/mol.
Where can I buy ChemDiv1_028652?
You can request a quote for ChemDiv1_028652 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028652?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028652 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.