AO-080/41039431
TL;DR: AO-080/41039431 (CAS 690651-39-9) is a chemical compound with molecular formula C22H23N3O2S2 and molecular weight 425.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-acetamido-2,4-dimethylphenyl)methyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
Also Known As: AO-080/41039431, N-[(3-acetamido-2,4-dimethylphenyl)methyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide, N-[3-(acetylamino)-2,4-dimethylbenzyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide, N-{[3-(acetylamino)-2,4-dimethylphenyl]methyl}-2-(4-phenyl(1,3-thiazol-2-ylthi o))acetamide, Cambridge id 7012784
| Molecular Formula | C22H23N3O2S2 |
|---|---|
| Molecular Weight | 425.12 g/mol |
| LogP | 4.79384 |
| Topological Polar Surface Area | 71.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 425.12317 |
| Heavy Atoms | 29 |
| Complexity | 1016.1518 |
Chemical Identifiers
| CAS Number | 690651-39-9 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)CNC(=O)CSC2=NC(=CS2)C3=CC=CC=C3)C)NC(=O)C |
Product Overview
AO-080/41039431 (CAS 690651-39-9), with molecular formula C22H23N3O2S2 and molecular weight 425.12 g/mol. IUPAC: N-[(3-acetamido-2,4-dimethylphenyl)methyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide.
Chemical Property Profile of AO-080/41039431
Property Insights of AO-080/41039431
The XLogP value of 4.79384 indicates that AO-080/41039431 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.09 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-080/41039431. Following Lipinski's Rule of Five, AO-080/41039431 has 2 hydrogen bond donor(s) and 5 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 AO-080/41039431?
The CAS number of AO-080/41039431 is 690651-39-9.
What is the molecular formula of AO-080/41039431?
The molecular formula of AO-080/41039431 is C22H23N3O2S2.
What is the molecular weight of AO-080/41039431?
The molecular weight of AO-080/41039431 is 425.12 g/mol.
Where can I buy AO-080/41039431?
You can request a quote for AO-080/41039431 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-080/41039431?
Yes, KEHONG BIO provides custom synthesis services for AO-080/41039431 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.