A3426/0145323
TL;DR: A3426/0145323 (CAS 696615-75-5) is a chemical compound with molecular formula C23H26N6O3S and molecular weight 466.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-ethyl-5-oxo-2-[4-(1-phenylethylcarbamothioyl)piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid
Also Known As: A3426/0145323, 8-ethyl-5-oxo-2-{4-[(1-phenylethyl)carbamothioyl]piperazin-1-yl}-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid, 8-ethyl-5-oxo-2-(4-((1-phenylethyl)carbamothioyl)piperazin-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid, 8-ETHYL-5-OXO-2-(4-{[(1-PHENYLETHYL)AMINO]CARBOTHIOYL}PIPERAZINO)-5,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID, 8-ethyl-5-oxo-2-[4-(1-phenylethylcarbamothioyl)piperazin-1-ium-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylate
| Molecular Formula | C23H26N6O3S |
|---|---|
| Molecular Weight | 466.18 g/mol |
| LogP | 2.2673 |
| Topological Polar Surface Area | 103.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 466.1787 |
| Heavy Atoms | 33 |
| Complexity | 1238.1704 |
Chemical Identifiers
| CAS Number | 696615-75-5 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC(C)C4=CC=CC=C4)C(=O)O |
Product Overview
A3426/0145323 (CAS 696615-75-5), with molecular formula C23H26N6O3S and molecular weight 466.18 g/mol. IUPAC: 8-ethyl-5-oxo-2-[4-(1-phenylethylcarbamothioyl)piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid.
Chemical Property Profile of A3426/0145323
Property Insights of A3426/0145323
The XLogP value of 2.2673 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3426/0145323. The TPSA of 103.59 Ų falls within the moderate polarity range, balancing permeability and solubility for A3426/0145323. Following Lipinski's Rule of Five, A3426/0145323 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 A3426/0145323?
The CAS number of A3426/0145323 is 696615-75-5.
What is the molecular formula of A3426/0145323?
The molecular formula of A3426/0145323 is C23H26N6O3S.
What is the molecular weight of A3426/0145323?
The molecular weight of A3426/0145323 is 466.18 g/mol.
Where can I buy A3426/0145323?
You can request a quote for A3426/0145323 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3426/0145323?
Yes, KEHONG BIO provides custom synthesis services for A3426/0145323 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.