AB00684668-01
TL;DR: AB00684668-01 (CAS 851785-29-0) is a chemical compound with molecular formula C21H21ClN4O4S and molecular weight 460.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenoxy)-N-[[5-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide
Also Known As: AB00684668-01, F0623-0203, 2-(4-chlorophenoxy)-N-{[5-({[(2,5-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}acetamide, 2-[[5-[[[2-(4-Chlorophenoxy)acetyl]amino]methyl]-1,3,4-oxadiazol-2-yl]thio]-N-(2,5-dimethylphenyl)acetamide, 2-(4-chlorophenoxy)-N-[[5-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide
| Molecular Formula | C21H21ClN4O4S |
|---|---|
| Molecular Weight | 460.10 g/mol |
| LogP | 3.76584 |
| Topological Polar Surface Area | 106.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 460.0972 |
| Heavy Atoms | 31 |
| Complexity | 1055.7882 |
Chemical Identifiers
| CAS Number | 851785-29-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=C(O2)CNC(=O)COC3=CC=C(C=C3)Cl |
Product Overview
AB00684668-01 (CAS 851785-29-0), with molecular formula C21H21ClN4O4S and molecular weight 460.10 g/mol. IUPAC: 2-(4-chlorophenoxy)-N-[[5-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide.
Chemical Property Profile of AB00684668-01
Property Insights of AB00684668-01
The XLogP value of 3.76584 indicates that AB00684668-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.35 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684668-01. Following Lipinski's Rule of Five, AB00684668-01 has 2 hydrogen bond donor(s) and 7 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 AB00684668-01?
The CAS number of AB00684668-01 is 851785-29-0.
What is the molecular formula of AB00684668-01?
The molecular formula of AB00684668-01 is C21H21ClN4O4S.
What is the molecular weight of AB00684668-01?
The molecular weight of AB00684668-01 is 460.10 g/mol.
Where can I buy AB00684668-01?
You can request a quote for AB00684668-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684668-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684668-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.