A2878/0121291
TL;DR: A2878/0121291 (CAS 488723-25-7) is a chemical compound with molecular formula C21H21ClN6O3S and molecular weight 472.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(2-chlorophenyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
Also Known As: A2878/0121291, 2-[4-(2-Chloro-phenylthiocarbamoyl)-piperazin-1-yl]-8-ethyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyrimidine-6 -carboxylic acid, 2-[4-[(2-chlorophenyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid, 2-(4-((2-chlorophenyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid, 2-(4-{[(2-Chlorophenyl)amino]carbonothioyl}-1-piperazinyl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic Acid
| Molecular Formula | C21H21ClN6O3S |
|---|---|
| Molecular Weight | 472.11 g/mol |
| LogP | 2.682 |
| Topological Polar Surface Area | 103.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 472.10843 |
| Heavy Atoms | 32 |
| Complexity | 1256.0038 |
Chemical Identifiers
| CAS Number | 488723-25-7 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4=CC=CC=C4Cl)C(=O)O |
Product Overview
A2878/0121291 (CAS 488723-25-7), with molecular formula C21H21ClN6O3S and molecular weight 472.11 g/mol. IUPAC: 2-[4-[(2-chlorophenyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid.
Chemical Property Profile of A2878/0121291
Property Insights of A2878/0121291
The XLogP value of 2.682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2878/0121291. The TPSA of 103.59 Ų falls within the moderate polarity range, balancing permeability and solubility for A2878/0121291. Following Lipinski's Rule of Five, A2878/0121291 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 A2878/0121291?
The CAS number of A2878/0121291 is 488723-25-7.
What is the molecular formula of A2878/0121291?
The molecular formula of A2878/0121291 is C21H21ClN6O3S.
What is the molecular weight of A2878/0121291?
The molecular weight of A2878/0121291 is 472.11 g/mol.
Where can I buy A2878/0121291?
You can request a quote for A2878/0121291 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2878/0121291?
Yes, KEHONG BIO provides custom synthesis services for A2878/0121291 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.