AB00121357-01
TL;DR: AB00121357-01 (CAS 432539-70-3) is a chemical compound with molecular formula C23H25N5O3S and molecular weight 451.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: AB00121357-01, methyl 4-[({[4-cyclohexyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate, Methyl 4-[[2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate, methyl 4-[2-(4-cyclohexyl-5-(3-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]ben zoate, methyl 4-(2-((4-cyclohexyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate
| Molecular Formula | C23H25N5O3S |
|---|---|
| Molecular Weight | 451.17 g/mol |
| LogP | 4.3627 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.16782 |
| Heavy Atoms | 32 |
| Complexity | 1062.9957 |
Chemical Identifiers
| CAS Number | 432539-70-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3CCCCC3)C4=CN=CC=C4 |
Product Overview
AB00121357-01 (CAS 432539-70-3), with molecular formula C23H25N5O3S and molecular weight 451.17 g/mol. IUPAC: methyl 4-[[2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of AB00121357-01
Property Insights of AB00121357-01
The XLogP value of 4.3627 indicates that AB00121357-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00121357-01. Following Lipinski's Rule of Five, AB00121357-01 has 1 hydrogen bond donor(s) and 7 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 AB00121357-01?
The CAS number of AB00121357-01 is 432539-70-3.
What is the molecular formula of AB00121357-01?
The molecular formula of AB00121357-01 is C23H25N5O3S.
What is the molecular weight of AB00121357-01?
The molecular weight of AB00121357-01 is 451.17 g/mol.
Where can I buy AB00121357-01?
You can request a quote for AB00121357-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00121357-01?
Yes, KEHONG BIO provides custom synthesis services for AB00121357-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.