A2902/0122248
TL;DR: A2902/0122248 (CAS 489398-67-6) is a chemical compound with molecular formula C21H20ClN7O4S and molecular weight 501.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(6-chloropyridine-3-carbonyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
Also Known As: A2902/0122248, 2-(4-((6-chloronicotinoyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid, 2-(4-{[(6-chloropyridin-3-yl)carbonyl]carbamothioyl}piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid, 2-(4-{[(6-CHLOROPYRIDIN-3-YL)FORMAMIDO]METHANETHIOYL}PIPERAZIN-1-YL)-8-ETHYL-5-OXO-5H,8H-PYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID, 2-[4-[(6-chloropyridine-3-carbonyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
| Molecular Formula | C21H20ClN7O4S |
|---|---|
| Molecular Weight | 501.10 g/mol |
| LogP | 1.3949 |
| Topological Polar Surface Area | 133.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 501.0986 |
| Heavy Atoms | 34 |
| Complexity | 1337.4415 |
Chemical Identifiers
| CAS Number | 489398-67-6 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC(=O)C4=CN=C(C=C4)Cl)C(=O)O |
Product Overview
A2902/0122248 (CAS 489398-67-6), with molecular formula C21H20ClN7O4S and molecular weight 501.10 g/mol. IUPAC: 2-[4-[(6-chloropyridine-3-carbonyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid.
Chemical Property Profile of A2902/0122248
Property Insights of A2902/0122248
The XLogP value of 1.3949 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2902/0122248. The TPSA of 133.55 Ų falls within the moderate polarity range, balancing permeability and solubility for A2902/0122248. Following Lipinski's Rule of Five, A2902/0122248 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2902/0122248?
The CAS number of A2902/0122248 is 489398-67-6.
What is the molecular formula of A2902/0122248?
The molecular formula of A2902/0122248 is C21H20ClN7O4S.
What is the molecular weight of A2902/0122248?
The molecular weight of A2902/0122248 is 501.10 g/mol.
Where can I buy A2902/0122248?
You can request a quote for A2902/0122248 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2902/0122248?
Yes, KEHONG BIO provides custom synthesis services for A2902/0122248 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.