AB00727512-01
TL;DR: AB00727512-01 (CAS 785801-59-4) is a chemical compound with molecular formula C18H20N4OS2 and molecular weight 372.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
Also Known As: AB00727512-01, AB00727512-02, 2-(4-ethyl-5-(2-thienyl)(1,2,4-triazol-3-ylthio))-N-[(4-methylphenyl)methyl]ac etamide, 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
| Molecular Formula | C18H20N4OS2 |
|---|---|
| Molecular Weight | 372.11 g/mol |
| LogP | 3.74342 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 372.10785 |
| Heavy Atoms | 25 |
| Complexity | 825.39545 |
Chemical Identifiers
| CAS Number | 785801-59-4 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NCC2=CC=C(C=C2)C)C3=CC=CS3 |
Product Overview
AB00727512-01 (CAS 785801-59-4), with molecular formula C18H20N4OS2 and molecular weight 372.11 g/mol. IUPAC: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide.
Chemical Property Profile of AB00727512-01
Property Insights of AB00727512-01
The XLogP value of 3.74342 indicates that AB00727512-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, AB00727512-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00727512-01 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 AB00727512-01?
The CAS number of AB00727512-01 is 785801-59-4.
What is the molecular formula of AB00727512-01?
The molecular formula of AB00727512-01 is C18H20N4OS2.
What is the molecular weight of AB00727512-01?
The molecular weight of AB00727512-01 is 372.11 g/mol.
Where can I buy AB00727512-01?
You can request a quote for AB00727512-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00727512-01?
Yes, KEHONG BIO provides custom synthesis services for AB00727512-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.