A2879/0121336
TL;DR: A2879/0121336 (CAS 487019-79-4) is a chemical compound with molecular formula C24H26N6O5S and molecular weight 510.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(3-ethoxybenzoyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
Also Known As: A2879/0121336, 2-(4-((3-ethoxybenzoyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid, 2-(4-{[(3-ethoxyphenyl)carbonyl]carbamothioyl}piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid, 2-(4-{[(3-ETHOXYPHENYL)FORMAMIDO]METHANETHIOYL}PIPERAZIN-1-YL)-8-ETHYL-5-OXO-5H,8H-PYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID, 2-[4-[(3-ethoxybenzoyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
| Molecular Formula | C24H26N6O5S |
|---|---|
| Molecular Weight | 510.17 g/mol |
| LogP | 1.7452 |
| Topological Polar Surface Area | 129.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 510.16855 |
| Heavy Atoms | 36 |
| Complexity | 1383.16 |
Chemical Identifiers
| CAS Number | 487019-79-4 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC(=O)C4=CC(=CC=C4)OCC)C(=O)O |
Product Overview
A2879/0121336 (CAS 487019-79-4), with molecular formula C24H26N6O5S and molecular weight 510.17 g/mol. IUPAC: 2-[4-[(3-ethoxybenzoyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid.
Chemical Property Profile of A2879/0121336
Property Insights of A2879/0121336
The XLogP value of 1.7452 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2879/0121336. The TPSA of 129.89 Ų falls within the moderate polarity range, balancing permeability and solubility for A2879/0121336. Following Lipinski's Rule of Five, A2879/0121336 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 A2879/0121336?
The CAS number of A2879/0121336 is 487019-79-4.
What is the molecular formula of A2879/0121336?
The molecular formula of A2879/0121336 is C24H26N6O5S.
What is the molecular weight of A2879/0121336?
The molecular weight of A2879/0121336 is 510.17 g/mol.
Where can I buy A2879/0121336?
You can request a quote for A2879/0121336 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2879/0121336?
Yes, KEHONG BIO provides custom synthesis services for A2879/0121336 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.