A3634/0154194
TL;DR: A3634/0154194 (CAS 697239-64-8) is a chemical compound with molecular formula C21H21FN6O3S and molecular weight 456.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-ethyl-2-[4-[(4-fluorophenyl)carbamothioyl]piperazin-1-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
Also Known As: A3634/0154194, 2-(4-{[(4-Fluorophenyl)amino]carbonothioyl}-1-piperazinyl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic Acid, 8-ethyl-2-{4-[(4-fluorophenyl)carbamothioyl]piperazin-1-yl}-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid, 8-ethyl-2-(4-((4-fluorophenyl)carbamothioyl)piperazin-1-yl)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid, 8-Ethyl-2-[4-(4-fluoro-phenylthiocarbamoyl)-piperazin-1-yl]-5-oxo-5,8-dihydro-pyrido[2,3-d]pyrimidine-6- carboxylic acid
| Molecular Formula | C21H21FN6O3S |
|---|---|
| Molecular Weight | 456.14 g/mol |
| LogP | 2.1677 |
| Topological Polar Surface Area | 103.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.138 |
| Heavy Atoms | 32 |
| Complexity | 1238.7538 |
Chemical Identifiers
| CAS Number | 697239-64-8 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4=CC=C(C=C4)F)C(=O)O |
Product Overview
A3634/0154194 (CAS 697239-64-8), with molecular formula C21H21FN6O3S and molecular weight 456.14 g/mol. IUPAC: 8-ethyl-2-[4-[(4-fluorophenyl)carbamothioyl]piperazin-1-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid.
Chemical Property Profile of A3634/0154194
Property Insights of A3634/0154194
The XLogP value of 2.1677 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3634/0154194. The TPSA of 103.59 Ų falls within the moderate polarity range, balancing permeability and solubility for A3634/0154194. Following Lipinski's Rule of Five, A3634/0154194 has 2 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 A3634/0154194?
The CAS number of A3634/0154194 is 697239-64-8.
What is the molecular formula of A3634/0154194?
The molecular formula of A3634/0154194 is C21H21FN6O3S.
What is the molecular weight of A3634/0154194?
The molecular weight of A3634/0154194 is 456.14 g/mol.
Where can I buy A3634/0154194?
You can request a quote for A3634/0154194 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3634/0154194?
Yes, KEHONG BIO provides custom synthesis services for A3634/0154194 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.