AF-399/41219709
TL;DR: AF-399/41219709 (CAS 438481-48-2) is a chemical compound with molecular formula C22H22N4O4S3 and molecular weight 502.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Also Known As: AF-399/41219709, 2-({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide, 2-((5-((benzo[d]thiazol-2-ylthio)methyl)-1,3,4-oxadiazol-2-yl)thio)-N-(3,4-dimethoxyphenethyl)acetamide, 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide, 2-[5-(benzothiazol-2-ylthiomethyl)(1,3,4-oxadiazol-2-ylthio)]-N-[2-(3,4-dimeth oxyphenyl)ethyl]acetamide
| Molecular Formula | C22H22N4O4S3 |
|---|---|
| Molecular Weight | 502.08 g/mol |
| LogP | 4.4398 |
| Topological Polar Surface Area | 99.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 502.08032 |
| Heavy Atoms | 33 |
| Complexity | 1194.3104 |
Chemical Identifiers
| CAS Number | 438481-48-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)CSC2=NN=C(O2)CSC3=NC4=CC=CC=C4S3)OC |
Product Overview
AF-399/41219709 (CAS 438481-48-2), with molecular formula C22H22N4O4S3 and molecular weight 502.08 g/mol. IUPAC: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.
Chemical Property Profile of AF-399/41219709
Property Insights of AF-399/41219709
The XLogP value of 4.4398 indicates that AF-399/41219709 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.37 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41219709. Following Lipinski's Rule of Five, AF-399/41219709 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/41219709?
The CAS number of AF-399/41219709 is 438481-48-2.
What is the molecular formula of AF-399/41219709?
The molecular formula of AF-399/41219709 is C22H22N4O4S3.
What is the molecular weight of AF-399/41219709?
The molecular weight of AF-399/41219709 is 502.08 g/mol.
Where can I buy AF-399/41219709?
You can request a quote for AF-399/41219709 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41219709?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41219709 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.