(4E)-5-bromo-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazocin-6-one
TL;DR: (4E)-5-bromo-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazocin-6-one (CAS 36064-25-2) is a chemical compound with molecular formula C18H16BrNO3S and molecular weight 405.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-bromo-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazocin-6-one
Also Known As: (4E)-5-bromo-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazocin-6-one, (4E)-5-Bromo-1-(4-methylbenzene-1-sulfonyl)-2,3-dihydro-1-benzazocin-6(1H)-one
| Molecular Formula | C18H16BrNO3S |
|---|---|
| Molecular Weight | 405.00 g/mol |
| LogP | 4.05552 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 405.00342 |
| Heavy Atoms | 24 |
| Complexity | 917.535 |
Chemical Identifiers
| CAS Number | 36064-25-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CC/C=C(\C(=O)C3=CC=CC=C32)/Br |
Product Overview
(4E)-5-bromo-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazocin-6-one (CAS 36064-25-2), with molecular formula C18H16BrNO3S and molecular weight 405.00 g/mol. IUPAC: (4E)-5-bromo-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazocin-6-one.
Chemical Property Profile of (4E)-5-bromo-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazocin-6-one
Property Insights of (4E)-5-bromo-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazocin-6-one
The XLogP value of 4.05552 indicates that (4E)-5-bromo-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazocin-6-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.45 Ų, (4E)-5-bromo-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazocin-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4E)-5-bromo-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazocin-6-one has 0 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 (4E)-5-bromo-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazocin-6-one?
The CAS number of (4E)-5-bromo-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazocin-6-one is 36064-25-2.
What is the molecular formula of (4E)-5-bromo-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazocin-6-one?
The molecular formula of (4E)-5-bromo-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazocin-6-one is C18H16BrNO3S.
What is the molecular weight of (4E)-5-bromo-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazocin-6-one?
The molecular weight of (4E)-5-bromo-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazocin-6-one is 405.00 g/mol.
Where can I buy (4E)-5-bromo-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazocin-6-one?
You can request a quote for (4E)-5-bromo-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazocin-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4E)-5-bromo-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazocin-6-one?
Yes, KEHONG BIO provides custom synthesis services for (4E)-5-bromo-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazocin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.