AF-399/41182233
TL;DR: AF-399/41182233 (CAS 438481-65-3) is a chemical compound with molecular formula C21H18N4O4S3 and molecular weight 486.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: AF-399/41182233, ethyl 4-[[2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate, ethyl 4-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}benzoate, ethyl 4-{2-[5-(benzothiazol-2-ylthiomethyl)-1,3,4-oxadiazol-2-ylthio]acetylami no}benzoate, ethyl 4-(2-((5-((benzo[d]thiazol-2-ylthio)methyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate
| Molecular Formula | C21H18N4O4S3 |
|---|---|
| Molecular Weight | 486.05 g/mol |
| LogP | 4.8791 |
| Topological Polar Surface Area | 107.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 486.049 |
| Heavy Atoms | 32 |
| Complexity | 1190.2556 |
Chemical Identifiers
| CAS Number | 438481-65-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)CSC3=NC4=CC=CC=C4S3 |
Product Overview
AF-399/41182233 (CAS 438481-65-3), with molecular formula C21H18N4O4S3 and molecular weight 486.05 g/mol. IUPAC: ethyl 4-[[2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of AF-399/41182233
Property Insights of AF-399/41182233
The XLogP value of 4.8791 indicates that AF-399/41182233 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.21 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41182233. Following Lipinski's Rule of Five, AF-399/41182233 has 1 hydrogen bond donor(s) and 10 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 AF-399/41182233?
The CAS number of AF-399/41182233 is 438481-65-3.
What is the molecular formula of AF-399/41182233?
The molecular formula of AF-399/41182233 is C21H18N4O4S3.
What is the molecular weight of AF-399/41182233?
The molecular weight of AF-399/41182233 is 486.05 g/mol.
Where can I buy AF-399/41182233?
You can request a quote for AF-399/41182233 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41182233?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41182233 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.