AB01209729-01
TL;DR: AB01209729-01 (CAS 696630-46-3) is a chemical compound with molecular formula C18H22N6O3S and molecular weight 402.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-ethyl-5-oxo-2-[4-(prop-2-enylcarbamothioyl)piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid
Also Known As: AB01209729-01, A3415/0144898, 8-ethyl-5-oxo-2-[4-(prop-2-en-1-ylcarbamothioyl)piperazin-1-yl]-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid, 2-(4-(allylcarbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid, 2-{4-[(allylamino)carbonothioyl]-1-piperazinyl}-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
| Molecular Formula | C18H22N6O3S |
|---|---|
| Molecular Weight | 402.15 g/mol |
| LogP | 0.6921 |
| Topological Polar Surface Area | 103.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.1474 |
| Heavy Atoms | 28 |
| Complexity | 981.1802 |
Chemical Identifiers
| CAS Number | 696630-46-3 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NCC=C)C(=O)O |
Product Overview
AB01209729-01 (CAS 696630-46-3), with molecular formula C18H22N6O3S and molecular weight 402.15 g/mol. IUPAC: 8-ethyl-5-oxo-2-[4-(prop-2-enylcarbamothioyl)piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid.
Chemical Property Profile of AB01209729-01
Property Insights of AB01209729-01
The XLogP value of 0.6921 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01209729-01. The TPSA of 103.59 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01209729-01. Following Lipinski's Rule of Five, AB01209729-01 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 AB01209729-01?
The CAS number of AB01209729-01 is 696630-46-3.
What is the molecular formula of AB01209729-01?
The molecular formula of AB01209729-01 is C18H22N6O3S.
What is the molecular weight of AB01209729-01?
The molecular weight of AB01209729-01 is 402.15 g/mol.
Where can I buy AB01209729-01?
You can request a quote for AB01209729-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01209729-01?
Yes, KEHONG BIO provides custom synthesis services for AB01209729-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.