AB00120246-01
TL;DR: AB00120246-01 (CAS 142529-91-7) is a chemical compound with molecular formula C21H22BrN5OS and molecular weight 471.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: AB00120246-01, AJ-292/41604260, N-(4-bromophenyl)-2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(4-bromophenyl)-2-{[4-cyclohexyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(4-bromophenyl)-2-(4-cyclohexyl-5-(3-pyridyl)(1,2,4-triazol-3-ylthio))acetam ide
| Molecular Formula | C21H22BrN5OS |
|---|---|
| Molecular Weight | 471.07 g/mol |
| LogP | 5.3386 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 471.07285 |
| Heavy Atoms | 29 |
| Complexity | 954.96265 |
Chemical Identifiers
| CAS Number | 142529-91-7 |
|---|---|
| SMILES | C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)Br)C4=CN=CC=C4 |
Product Overview
AB00120246-01 (CAS 142529-91-7), with molecular formula C21H22BrN5OS and molecular weight 471.07 g/mol. IUPAC: N-(4-bromophenyl)-2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of AB00120246-01
Property Insights of AB00120246-01
The XLogP value of 5.3386 indicates that AB00120246-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00120246-01. Following Lipinski's Rule of Five, AB00120246-01 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00120246-01?
The CAS number of AB00120246-01 is 142529-91-7.
What is the molecular formula of AB00120246-01?
The molecular formula of AB00120246-01 is C21H22BrN5OS.
What is the molecular weight of AB00120246-01?
The molecular weight of AB00120246-01 is 471.07 g/mol.
Where can I buy AB00120246-01?
You can request a quote for AB00120246-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00120246-01?
Yes, KEHONG BIO provides custom synthesis services for AB00120246-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.