AB00681415-01
TL;DR: AB00681415-01 (CAS 898630-75-6) is a chemical compound with molecular formula C16H13ClN4O2S and molecular weight 360.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-methylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
Also Known As: AB00681415-01, F2754-0025, N-(3-chloro-4-methylphenyl)-2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide, N-(3-chloro-4-methylphenyl)-2-((5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl)thio)acetamide, N-(3-chloro-4-methylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
| Molecular Formula | C16H13ClN4O2S |
|---|---|
| Molecular Weight | 360.04 g/mol |
| LogP | 3.82422 |
| Topological Polar Surface Area | 80.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 360.04477 |
| Heavy Atoms | 24 |
| Complexity | 854.2936 |
Chemical Identifiers
| CAS Number | 898630-75-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=CN=CC=C3)Cl |
Product Overview
AB00681415-01 (CAS 898630-75-6), with molecular formula C16H13ClN4O2S and molecular weight 360.04 g/mol. IUPAC: N-(3-chloro-4-methylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
Chemical Property Profile of AB00681415-01
Property Insights of AB00681415-01
The XLogP value of 3.82422 indicates that AB00681415-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.91 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00681415-01. Following Lipinski's Rule of Five, AB00681415-01 has 1 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 AB00681415-01?
The CAS number of AB00681415-01 is 898630-75-6.
What is the molecular formula of AB00681415-01?
The molecular formula of AB00681415-01 is C16H13ClN4O2S.
What is the molecular weight of AB00681415-01?
The molecular weight of AB00681415-01 is 360.04 g/mol.
Where can I buy AB00681415-01?
You can request a quote for AB00681415-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00681415-01?
Yes, KEHONG BIO provides custom synthesis services for AB00681415-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.