AO-081/15385003
TL;DR: AO-081/15385003 (CAS 428452-25-9) is a chemical compound with molecular formula C21H23N3O2S and molecular weight 381.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
Also Known As: AO-081/15385003, N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(2-methylphenyl)methylsulfanyl]acetamide, N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(2-methylbenzyl)sulfanyl]acetamide, N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(2-methylbenzyl)thio]acetamide
| Molecular Formula | C21H23N3O2S |
|---|---|
| Molecular Weight | 381.15 g/mol |
| LogP | 3.66474 |
| Topological Polar Surface Area | 56.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.1511 |
| Heavy Atoms | 27 |
| Complexity | 1006.01135 |
Chemical Identifiers
| CAS Number | 428452-25-9 |
|---|---|
| SMILES | CC1=CC=CC=C1CSCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C |
Product Overview
AO-081/15385003 (CAS 428452-25-9), with molecular formula C21H23N3O2S and molecular weight 381.15 g/mol. IUPAC: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(2-methylphenyl)methylsulfanyl]acetamide.
Chemical Property Profile of AO-081/15385003
Property Insights of AO-081/15385003
The XLogP value of 3.66474 indicates that AO-081/15385003 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.03 Ų, AO-081/15385003 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-081/15385003 has 1 hydrogen bond donor(s) and 3 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-081/15385003?
The CAS number of AO-081/15385003 is 428452-25-9.
What is the molecular formula of AO-081/15385003?
The molecular formula of AO-081/15385003 is C21H23N3O2S.
What is the molecular weight of AO-081/15385003?
The molecular weight of AO-081/15385003 is 381.15 g/mol.
Where can I buy AO-081/15385003?
You can request a quote for AO-081/15385003 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/15385003?
Yes, KEHONG BIO provides custom synthesis services for AO-081/15385003 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.