A3718/0157537
TL;DR: A3718/0157537 (CAS 727419-84-3) is a chemical compound with molecular formula C21H23N7O5S2 and molecular weight 517.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-ethyl-5-oxo-2-[4-[(4-sulfamoylphenyl)carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid
Also Known As: A3718/0157537, 2-(4-{[4-(AMINOSULFONYL)ANILINO]CARBOTHIOYL}PIPERAZINO)-8-ETHYL-5-OXO-5,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID, 8-ethyl-5-oxo-2-(4-((4-sulfamoylphenyl)carbamothioyl)piperazin-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid, 8-ethyl-5-oxo-2-[4-[(4-sulfamoylphenyl)carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid, 8-ethyl-5-oxo-2-{4-[(4-sulfamoylphenyl)carbamothioyl]piperazin-1-yl}-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
| Molecular Formula | C21H23N7O5S2 |
|---|---|
| Molecular Weight | 517.12 g/mol |
| LogP | 0.676 |
| Topological Polar Surface Area | 163.75 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 517.12024 |
| Heavy Atoms | 35 |
| Complexity | 1463.902 |
Chemical Identifiers
| CAS Number | 727419-84-3 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4=CC=C(C=C4)S(=O)(=O)N)C(=O)O |
Product Overview
A3718/0157537 (CAS 727419-84-3), with molecular formula C21H23N7O5S2 and molecular weight 517.12 g/mol. IUPAC: 8-ethyl-5-oxo-2-[4-[(4-sulfamoylphenyl)carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid.
Chemical Property Profile of A3718/0157537
Property Insights of A3718/0157537
The XLogP value of 0.676 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3718/0157537. The TPSA of 163.75 Ų indicates high polarity, suggesting A3718/0157537 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A3718/0157537 has 3 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 A3718/0157537?
The CAS number of A3718/0157537 is 727419-84-3.
What is the molecular formula of A3718/0157537?
The molecular formula of A3718/0157537 is C21H23N7O5S2.
What is the molecular weight of A3718/0157537?
The molecular weight of A3718/0157537 is 517.12 g/mol.
Where can I buy A3718/0157537?
You can request a quote for A3718/0157537 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3718/0157537?
Yes, KEHONG BIO provides custom synthesis services for A3718/0157537 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.