AN-698/42116015
TL;DR: AN-698/42116015 (CAS 665018-22-4) is a chemical compound with molecular formula C20H18ClN3O5S and molecular weight 447.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-chloro-5-[[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: AN-698/42116015, ethyl 2-chloro-5-[({[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]benzoate, ethyl 2-chloro-5-[[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate, ethyl 2-chloro-5-(2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate
| Molecular Formula | C20H18ClN3O5S |
|---|---|
| Molecular Weight | 447.07 g/mol |
| LogP | 4.3061 |
| Topological Polar Surface Area | 103.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 447.06558 |
| Heavy Atoms | 30 |
| Complexity | 1039.1761 |
Chemical Identifiers
| CAS Number | 665018-22-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)OC)Cl |
Product Overview
AN-698/42116015 (CAS 665018-22-4), with molecular formula C20H18ClN3O5S and molecular weight 447.07 g/mol. IUPAC: ethyl 2-chloro-5-[[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of AN-698/42116015
Property Insights of AN-698/42116015
The XLogP value of 4.3061 indicates that AN-698/42116015 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.55 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/42116015. Following Lipinski's Rule of Five, AN-698/42116015 has 1 hydrogen bond donor(s) and 8 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 AN-698/42116015?
The CAS number of AN-698/42116015 is 665018-22-4.
What is the molecular formula of AN-698/42116015?
The molecular formula of AN-698/42116015 is C20H18ClN3O5S.
What is the molecular weight of AN-698/42116015?
The molecular weight of AN-698/42116015 is 447.07 g/mol.
Where can I buy AN-698/42116015?
You can request a quote for AN-698/42116015 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/42116015?
Yes, KEHONG BIO provides custom synthesis services for AN-698/42116015 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.