5,5-Dibromo-1-(4-methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1-benzazocin-6(1H)-one
TL;DR: 5,5-Dibromo-1-(4-methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1-benzazocin-6(1H)-one (CAS 36036-87-0) is a chemical compound with molecular formula C18H17Br2NO3S and molecular weight 484.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dibromo-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazocin-6-one
Also Known As: 5,5-Dibromo-1-(4-methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1-benzazocin-6(1H)-one, 5,5-dibromo-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benz, 5,5-dibromo-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazocin-6-one
| Molecular Formula | C18H17Br2NO3S |
|---|---|
| Molecular Weight | 484.93 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 484.9296 |
| Heavy Atoms | 25 |
| Complexity | 594.0 |
Chemical Identifiers
| CAS Number | 36036-87-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C(=O)C3=CC=CC=C32)(Br)Br |
| InChIKey | VLKGRULXQJUGJJ-UHFFFAOYSA-N |
Product Overview
5,5-Dibromo-1-(4-methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1-benzazocin-6(1H)-one (CAS 36036-87-0), with molecular formula C18H17Br2NO3S and molecular weight 484.93 g/mol. IUPAC: 5,5-dibromo-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazocin-6-one.
Chemical Property Profile of 5,5-Dibromo-1-(4-methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1-benzazocin-6(1H)-one
Property Insights of 5,5-Dibromo-1-(4-methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1-benzazocin-6(1H)-one
The XLogP value of 4.8 indicates that 5,5-Dibromo-1-(4-methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1-benzazocin-6(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,5-Dibromo-1-(4-methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1-benzazocin-6(1H)-one. Following Lipinski's Rule of Five, 5,5-Dibromo-1-(4-methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1-benzazocin-6(1H)-one has 0 hydrogen bond donor(s) and 4 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 5,5-Dibromo-1-(4-methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1-benzazocin-6(1H)-one?
The CAS number of 5,5-Dibromo-1-(4-methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1-benzazocin-6(1H)-one is 36036-87-0.
What is the molecular formula of 5,5-Dibromo-1-(4-methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1-benzazocin-6(1H)-one?
The molecular formula of 5,5-Dibromo-1-(4-methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1-benzazocin-6(1H)-one is C18H17Br2NO3S.
What is the molecular weight of 5,5-Dibromo-1-(4-methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1-benzazocin-6(1H)-one?
The molecular weight of 5,5-Dibromo-1-(4-methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1-benzazocin-6(1H)-one is 484.93 g/mol.
Where can I buy 5,5-Dibromo-1-(4-methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1-benzazocin-6(1H)-one?
You can request a quote for 5,5-Dibromo-1-(4-methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1-benzazocin-6(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-Dibromo-1-(4-methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1-benzazocin-6(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Dibromo-1-(4-methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1-benzazocin-6(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.