AB00112367-01
TL;DR: AB00112367-01 (CAS 430444-07-8) is a chemical compound with molecular formula C20H19BrN4O2S and molecular weight 458.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]propanamide
Also Known As: AB00112367-01, AN-988/15291031, N-[3-[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]propanamide, N-[3-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)phenyl]propanamide, N-(3-(5-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)propionamide
| Molecular Formula | C20H19BrN4O2S |
|---|---|
| Molecular Weight | 458.04 g/mol |
| LogP | 4.5681 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 458.0412 |
| Heavy Atoms | 28 |
| Complexity | 1001.6952 |
Chemical Identifiers
| CAS Number | 430444-07-8 |
|---|---|
| SMILES | CCC(=O)NC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)C3=CC=C(C=C3)Br |
Product Overview
AB00112367-01 (CAS 430444-07-8), with molecular formula C20H19BrN4O2S and molecular weight 458.04 g/mol. IUPAC: N-[3-[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]propanamide.
Chemical Property Profile of AB00112367-01
Property Insights of AB00112367-01
The XLogP value of 4.5681 indicates that AB00112367-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.88 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00112367-01. Following Lipinski's Rule of Five, AB00112367-01 has 1 hydrogen bond donor(s) and 5 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 AB00112367-01?
The CAS number of AB00112367-01 is 430444-07-8.
What is the molecular formula of AB00112367-01?
The molecular formula of AB00112367-01 is C20H19BrN4O2S.
What is the molecular weight of AB00112367-01?
The molecular weight of AB00112367-01 is 458.04 g/mol.
Where can I buy AB00112367-01?
You can request a quote for AB00112367-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00112367-01?
Yes, KEHONG BIO provides custom synthesis services for AB00112367-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.