A3426/0145319
TL;DR: A3426/0145319 (CAS 1005281-72-0) is a chemical compound with molecular formula C22H26N6O3S and molecular weight 454.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2-bicyclo[2.2.1]hept-5-enylcarbamothioyl)piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
Also Known As: A3426/0145319, 2-[4-(bicyclo[2.2.1]hept-5-en-2-ylcarbamothioyl)piperazin-1-yl]-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid, 2-(4-((1R,2S,4R)-bicyclo[2.2.1]hept-5-en-2-ylcarbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid, 2-[4-(5-bicyclo[2.2.1]hept-2-enylcarbamothioyl)piperazin-1-ium-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate, 2-[4-(5-bicyclo[2.2.1]hept-2-enylcarbamothioyl)piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
| Molecular Formula | C22H26N6O3S |
|---|---|
| Molecular Weight | 454.18 g/mol |
| LogP | 1.4707 |
| Topological Polar Surface Area | 103.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.1787 |
| Heavy Atoms | 32 |
| Complexity | 1170.2007 |
Chemical Identifiers
| CAS Number | 1005281-72-0 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4CC5CC4C=C5)C(=O)O |
Product Overview
A3426/0145319 (CAS 1005281-72-0), with molecular formula C22H26N6O3S and molecular weight 454.18 g/mol. IUPAC: 2-[4-(2-bicyclo[2.2.1]hept-5-enylcarbamothioyl)piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid.
Chemical Property Profile of A3426/0145319
Property Insights of A3426/0145319
The XLogP value of 1.4707 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3426/0145319. The TPSA of 103.59 Ų falls within the moderate polarity range, balancing permeability and solubility for A3426/0145319. Following Lipinski's Rule of Five, A3426/0145319 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 A3426/0145319?
The CAS number of A3426/0145319 is 1005281-72-0.
What is the molecular formula of A3426/0145319?
The molecular formula of A3426/0145319 is C22H26N6O3S.
What is the molecular weight of A3426/0145319?
The molecular weight of A3426/0145319 is 454.18 g/mol.
Where can I buy A3426/0145319?
You can request a quote for A3426/0145319 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3426/0145319?
Yes, KEHONG BIO provides custom synthesis services for A3426/0145319 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.