3-Methoxy-1-acetonyloxy-benzol
TL;DR: 3-Methoxy-1-acetonyloxy-benzol (CAS 6437-64-5) is a chemical compound with molecular formula C26H29N3O3S2 and molecular weight 495.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methylphenyl)-4-methylsulfanyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
Also Known As: 3-Methoxy-1-acetonyloxy-benzol, BIM-0049969.P001, N-(4-methylphenyl)-4-methylsulfanyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide, Benzeneethanimidamide,N-[2-(3-methoxyphenoxy)propyl]-3-methyl-, hydriodide (1:1), N-(4-Methylphenyl)-4-(methylsulfanyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzene-1-sulfonamide
| Molecular Formula | C26H29N3O3S2 |
|---|---|
| Molecular Weight | 495.17 g/mol |
| LogP | 4.26102 |
| Topological Polar Surface Area | 60.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 495.16504 |
| Heavy Atoms | 34 |
| Complexity | 1206.4104 |
Chemical Identifiers
| CAS Number | 6437-64-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N(CC(=O)N2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)SC |
Product Overview
3-Methoxy-1-acetonyloxy-benzol (CAS 6437-64-5), with molecular formula C26H29N3O3S2 and molecular weight 495.17 g/mol. IUPAC: N-(4-methylphenyl)-4-methylsulfanyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide.
Chemical Property Profile of 3-Methoxy-1-acetonyloxy-benzol
Property Insights of 3-Methoxy-1-acetonyloxy-benzol
The XLogP value of 4.26102 indicates that 3-Methoxy-1-acetonyloxy-benzol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methoxy-1-acetonyloxy-benzol. Following Lipinski's Rule of Five, 3-Methoxy-1-acetonyloxy-benzol has 0 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 3-Methoxy-1-acetonyloxy-benzol?
The CAS number of 3-Methoxy-1-acetonyloxy-benzol is 6437-64-5.
What is the molecular formula of 3-Methoxy-1-acetonyloxy-benzol?
The molecular formula of 3-Methoxy-1-acetonyloxy-benzol is C26H29N3O3S2.
What is the molecular weight of 3-Methoxy-1-acetonyloxy-benzol?
The molecular weight of 3-Methoxy-1-acetonyloxy-benzol is 495.17 g/mol.
Where can I buy 3-Methoxy-1-acetonyloxy-benzol?
You can request a quote for 3-Methoxy-1-acetonyloxy-benzol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxy-1-acetonyloxy-benzol?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxy-1-acetonyloxy-benzol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.