1-acetamido-2-sulfooxy-benzene
TL;DR: 1-acetamido-2-sulfooxy-benzene (CAS 53463-67-5) is a chemical compound with molecular formula C17H23ClN2O4 and molecular weight 354.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5,6-dimethoxy-3-methyl-1-benzofuran-2-yl)-(4-methylpiperazin-1-yl)methanone;hydrochloride
Also Known As: 1-acetamido-2-sulfooxy-benzene, Piperazine, 1-((5,6-dimethoxy-3-methyl-2-benzofuranyl)carbonyl)-4-methyl-, monohydrochloride, 1-((5,6-Dimethoxy-3-methyl-2-benzofuranyl)carbonyl)-4-methylpiperazine monohydrochloride, (5,6-dimethoxy-3-methyl-1-benzofuran-2-yl)(4-methylpiperazin-1-yl)methanone hydrochloride(1:1), (5,6-dimethoxy-3-methyl-1-benzofuran-2-yl)-(4-methylpiperazin-1-yl)methanone hydrochloride
| Molecular Formula | C17H23ClN2O4 |
|---|---|
| Molecular Weight | 354.13 g/mol |
| LogP | 2.56782 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.13464 |
| Heavy Atoms | 24 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 53463-67-5 |
|---|---|
| SMILES | CC1=C(OC2=CC(=C(C=C12)OC)OC)C(=O)N3CCN(CC3)C.Cl |
| InChIKey | GKCRDNKNFWQMPM-UHFFFAOYSA-N |
Product Overview
1-acetamido-2-sulfooxy-benzene (CAS 53463-67-5), with molecular formula C17H23ClN2O4 and molecular weight 354.13 g/mol. IUPAC: (5,6-dimethoxy-3-methyl-1-benzofuran-2-yl)-(4-methylpiperazin-1-yl)methanone;hydrochloride.
Chemical Property Profile of 1-acetamido-2-sulfooxy-benzene
Property Insights of 1-acetamido-2-sulfooxy-benzene
The XLogP value of 2.56782 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-acetamido-2-sulfooxy-benzene. With a topological polar surface area (TPSA) of 55.2 Ų, 1-acetamido-2-sulfooxy-benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-acetamido-2-sulfooxy-benzene has 1 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 1-acetamido-2-sulfooxy-benzene?
The CAS number of 1-acetamido-2-sulfooxy-benzene is 53463-67-5.
What is the molecular formula of 1-acetamido-2-sulfooxy-benzene?
The molecular formula of 1-acetamido-2-sulfooxy-benzene is C17H23ClN2O4.
What is the molecular weight of 1-acetamido-2-sulfooxy-benzene?
The molecular weight of 1-acetamido-2-sulfooxy-benzene is 354.13 g/mol.
Where can I buy 1-acetamido-2-sulfooxy-benzene?
You can request a quote for 1-acetamido-2-sulfooxy-benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-acetamido-2-sulfooxy-benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-acetamido-2-sulfooxy-benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.