AB01290637-01
TL;DR: AB01290637-01 (CAS 879467-77-3) is a chemical compound with molecular formula C21H20ClN7OS and molecular weight 453.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethylphenyl)acetamide
Also Known As: AB01290637-01, 2-({4-amino-5-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-ethylphenyl)acetamide, 2-((4-amino-5-(3-(4-chlorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-ethylphenyl)acetamide, 2-[[4-amino-5-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethylphenyl)acetamide, 2-{4-amino-5-[3-(4-chlorophenyl)pyrazol-5-yl](1,2,4-triazol-3-ylthio)}-N-(2-et hylphenyl)acetamide
| Molecular Formula | C21H20ClN7OS |
|---|---|
| Molecular Weight | 453.11 g/mol |
| LogP | 3.9956 |
| Topological Polar Surface Area | 114.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 453.11386 |
| Heavy Atoms | 31 |
| Complexity | 1202.6759 |
Chemical Identifiers
| CAS Number | 879467-77-3 |
|---|---|
| SMILES | CCC1=CC=CC=C1NC(=O)CSC2=NN=C(N2N)C3=CC(=NN3)C4=CC=C(C=C4)Cl |
Product Overview
AB01290637-01 (CAS 879467-77-3), with molecular formula C21H20ClN7OS and molecular weight 453.11 g/mol. IUPAC: 2-[[4-amino-5-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethylphenyl)acetamide.
Chemical Property Profile of AB01290637-01
Property Insights of AB01290637-01
The XLogP value of 3.9956 indicates that AB01290637-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.51 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01290637-01. Following Lipinski's Rule of Five, AB01290637-01 has 3 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 AB01290637-01?
The CAS number of AB01290637-01 is 879467-77-3.
What is the molecular formula of AB01290637-01?
The molecular formula of AB01290637-01 is C21H20ClN7OS.
What is the molecular weight of AB01290637-01?
The molecular weight of AB01290637-01 is 453.11 g/mol.
Where can I buy AB01290637-01?
You can request a quote for AB01290637-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01290637-01?
Yes, KEHONG BIO provides custom synthesis services for AB01290637-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.