![2-[4-(4-Butoxycarbonyl-phenylthiocarbamoyl)-piperazin-1-yl]-8-ethyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyri midine-6-carboxylic acid structure](/static/products/488/488746-07-2.png)
2-[4-(4-Butoxycarbonyl-phenylthiocarbamoyl)-piperazin-1-yl]-8-ethyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyri midine-6-carboxylic acid
TL;DR: 2-[4-(4-Butoxycarbonyl-phenylthiocarbamoyl)-piperazin-1-yl]-8-ethyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyri midine-6-carboxylic acid (CAS 488746-07-2) is a chemical compound with molecular formula C26H30N6O5S and molecular weight 538.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(4-butoxycarbonylphenyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
Also Known As: 2-[4-(4-Butoxycarbonyl-phenylthiocarbamoyl)-piperazin-1-yl]-8-ethyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyri midine-6-carboxylic acid, 2-[4-[(4-butoxycarbonylphenyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid, 2-(4-((4-(butoxycarbonyl)phenyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid, 2-(4-{[4-(BUTOXYCARBONYL)ANILINO]CARBOTHIOYL}PIPERAZINO)-8-ETHYL-5-OXO-5,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID, 2-(4-{[4-(butoxycarbonyl)phenyl]carbamothioyl}piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
| Molecular Formula | C26H30N6O5S |
|---|---|
| Molecular Weight | 538.20 g/mol |
| LogP | 2.9855 |
| Topological Polar Surface Area | 129.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 538.1998 |
| Heavy Atoms | 38 |
| Complexity | 1399.7444 |
Chemical Identifiers
| CAS Number | 488746-07-2 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=NC=C4C(=O)C(=CN(C4=N3)CC)C(=O)O |
Product Overview
2-[4-(4-Butoxycarbonyl-phenylthiocarbamoyl)-piperazin-1-yl]-8-ethyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyri midine-6-carboxylic acid (CAS 488746-07-2), with molecular formula C26H30N6O5S and molecular weight 538.20 g/mol. IUPAC: 2-[4-[(4-butoxycarbonylphenyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid.
Chemical Property Profile of 2-[4-(4-Butoxycarbonyl-phenylthiocarbamoyl)-piperazin-1-yl]-8-ethyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyri midine-6-carboxylic acid
Property Insights of 2-[4-(4-Butoxycarbonyl-phenylthiocarbamoyl)-piperazin-1-yl]-8-ethyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyri midine-6-carboxylic acid
The XLogP value of 2.9855 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(4-Butoxycarbonyl-phenylthiocarbamoyl)-piperazin-1-yl]-8-ethyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyri midine-6-carboxylic acid. The TPSA of 129.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(4-Butoxycarbonyl-phenylthiocarbamoyl)-piperazin-1-yl]-8-ethyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyri midine-6-carboxylic acid. Following Lipinski's Rule of Five, 2-[4-(4-Butoxycarbonyl-phenylthiocarbamoyl)-piperazin-1-yl]-8-ethyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyri midine-6-carboxylic acid 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 2-[4-(4-Butoxycarbonyl-phenylthiocarbamoyl)-piperazin-1-yl]-8-ethyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyri midine-6-carboxylic acid?
The CAS number of 2-[4-(4-Butoxycarbonyl-phenylthiocarbamoyl)-piperazin-1-yl]-8-ethyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyri midine-6-carboxylic acid is 488746-07-2.
What is the molecular formula of 2-[4-(4-Butoxycarbonyl-phenylthiocarbamoyl)-piperazin-1-yl]-8-ethyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyri midine-6-carboxylic acid?
The molecular formula of 2-[4-(4-Butoxycarbonyl-phenylthiocarbamoyl)-piperazin-1-yl]-8-ethyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyri midine-6-carboxylic acid is C26H30N6O5S.
What is the molecular weight of 2-[4-(4-Butoxycarbonyl-phenylthiocarbamoyl)-piperazin-1-yl]-8-ethyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyri midine-6-carboxylic acid?
The molecular weight of 2-[4-(4-Butoxycarbonyl-phenylthiocarbamoyl)-piperazin-1-yl]-8-ethyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyri midine-6-carboxylic acid is 538.20 g/mol.
Where can I buy 2-[4-(4-Butoxycarbonyl-phenylthiocarbamoyl)-piperazin-1-yl]-8-ethyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyri midine-6-carboxylic acid?
You can request a quote for 2-[4-(4-Butoxycarbonyl-phenylthiocarbamoyl)-piperazin-1-yl]-8-ethyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyri midine-6-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(4-Butoxycarbonyl-phenylthiocarbamoyl)-piperazin-1-yl]-8-ethyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyri midine-6-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(4-Butoxycarbonyl-phenylthiocarbamoyl)-piperazin-1-yl]-8-ethyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyri midine-6-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.