AF-399/41369798
TL;DR: AF-399/41369798 (CAS 494200-80-5) is a chemical compound with molecular formula C26H23NO4S and molecular weight 445.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-(1,3-benzothiazol-2-yl)-3-(2,5-dimethoxyphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one
Also Known As: AF-399/41369798, (2Z)-2-(1,3-benzothiazol-2-yl)-3-(2,5-dimethoxyphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one, (2Z)-2-benzothiazol-2-yl-3-(2,5-dimethoxyphenyl)-1-(4-ethoxyphenyl)prop-2-en-1 -one, (Z)-2-(1,3-benzothiazol-2-yl)-3-(2,5-dimethoxyphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one, (Z)-2-(benzo[d]thiazol-2-yl)-3-(2,5-dimethoxyphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one
| Molecular Formula | C26H23NO4S |
|---|---|
| Molecular Weight | 445.13 g/mol |
| LogP | 6.1357 |
| Topological Polar Surface Area | 57.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 445.13477 |
| Heavy Atoms | 32 |
| Complexity | 1241.7365 |
Chemical Identifiers
| CAS Number | 494200-80-5 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=O)/C(=C/C2=C(C=CC(=C2)OC)OC)/C3=NC4=CC=CC=C4S3 |
Product Overview
AF-399/41369798 (CAS 494200-80-5), with molecular formula C26H23NO4S and molecular weight 445.13 g/mol. IUPAC: (Z)-2-(1,3-benzothiazol-2-yl)-3-(2,5-dimethoxyphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one.
Chemical Property Profile of AF-399/41369798
Property Insights of AF-399/41369798
The XLogP value of 6.1357 indicates that AF-399/41369798 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.65 Ų, AF-399/41369798 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/41369798 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/41369798?
The CAS number of AF-399/41369798 is 494200-80-5.
What is the molecular formula of AF-399/41369798?
The molecular formula of AF-399/41369798 is C26H23NO4S.
What is the molecular weight of AF-399/41369798?
The molecular weight of AF-399/41369798 is 445.13 g/mol.
Where can I buy AF-399/41369798?
You can request a quote for AF-399/41369798 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41369798?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41369798 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.