![5-[(5-Bromo-2-methoxyphenyl)sulfonyl]-1,3,4,5-tetrahydro-4-methyl-2H-1,5-benzodiazepin-2-one structure](/static/products/2165/216502-46-4.webp)
5-[(5-Bromo-2-methoxyphenyl)sulfonyl]-1,3,4,5-tetrahydro-4-methyl-2H-1,5-benzodiazepin-2-one
TL;DR: 5-[(5-Bromo-2-methoxyphenyl)sulfonyl]-1,3,4,5-tetrahydro-4-methyl-2H-1,5-benzodiazepin-2-one (CAS 216502-46-4) is a chemical compound with molecular formula C17H17BrN2O4S and molecular weight 424.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(5-bromo-2-methoxyphenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
Also Known As: 5-[(5-Bromo-2-methoxyphenyl)sulfonyl]-1,3,4,5-tetrahydro-4-methyl-2H-1,5-benzodiazepin-2-one, 5-(5-bromo-2-methoxyphenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one, 5-(5-Bromo-2-methoxybenzene-1-sulfonyl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
| Molecular Formula | C17H17BrN2O4S |
|---|---|
| Molecular Weight | 424.01 g/mol |
| LogP | 3.3837 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 424.00925 |
| Heavy Atoms | 25 |
| Complexity | 929.9951 |
Chemical Identifiers
| CAS Number | 216502-46-4 |
|---|---|
| SMILES | CC1CC(=O)NC2=CC=CC=C2N1S(=O)(=O)C3=C(C=CC(=C3)Br)OC |
Product Overview
5-[(5-Bromo-2-methoxyphenyl)sulfonyl]-1,3,4,5-tetrahydro-4-methyl-2H-1,5-benzodiazepin-2-one (CAS 216502-46-4), with molecular formula C17H17BrN2O4S and molecular weight 424.01 g/mol. IUPAC: 5-(5-bromo-2-methoxyphenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one.
Chemical Property Profile of 5-[(5-Bromo-2-methoxyphenyl)sulfonyl]-1,3,4,5-tetrahydro-4-methyl-2H-1,5-benzodiazepin-2-one
Property Insights of 5-[(5-Bromo-2-methoxyphenyl)sulfonyl]-1,3,4,5-tetrahydro-4-methyl-2H-1,5-benzodiazepin-2-one
The XLogP value of 3.3837 indicates that 5-[(5-Bromo-2-methoxyphenyl)sulfonyl]-1,3,4,5-tetrahydro-4-methyl-2H-1,5-benzodiazepin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(5-Bromo-2-methoxyphenyl)sulfonyl]-1,3,4,5-tetrahydro-4-methyl-2H-1,5-benzodiazepin-2-one. Following Lipinski's Rule of Five, 5-[(5-Bromo-2-methoxyphenyl)sulfonyl]-1,3,4,5-tetrahydro-4-methyl-2H-1,5-benzodiazepin-2-one has 1 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-Bromo-2-methoxyphenyl)sulfonyl]-1,3,4,5-tetrahydro-4-methyl-2H-1,5-benzodiazepin-2-one?
The CAS number of 5-[(5-Bromo-2-methoxyphenyl)sulfonyl]-1,3,4,5-tetrahydro-4-methyl-2H-1,5-benzodiazepin-2-one is 216502-46-4.
What is the molecular formula of 5-[(5-Bromo-2-methoxyphenyl)sulfonyl]-1,3,4,5-tetrahydro-4-methyl-2H-1,5-benzodiazepin-2-one?
The molecular formula of 5-[(5-Bromo-2-methoxyphenyl)sulfonyl]-1,3,4,5-tetrahydro-4-methyl-2H-1,5-benzodiazepin-2-one is C17H17BrN2O4S.
What is the molecular weight of 5-[(5-Bromo-2-methoxyphenyl)sulfonyl]-1,3,4,5-tetrahydro-4-methyl-2H-1,5-benzodiazepin-2-one?
The molecular weight of 5-[(5-Bromo-2-methoxyphenyl)sulfonyl]-1,3,4,5-tetrahydro-4-methyl-2H-1,5-benzodiazepin-2-one is 424.01 g/mol.
Where can I buy 5-[(5-Bromo-2-methoxyphenyl)sulfonyl]-1,3,4,5-tetrahydro-4-methyl-2H-1,5-benzodiazepin-2-one?
You can request a quote for 5-[(5-Bromo-2-methoxyphenyl)sulfonyl]-1,3,4,5-tetrahydro-4-methyl-2H-1,5-benzodiazepin-2-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-Bromo-2-methoxyphenyl)sulfonyl]-1,3,4,5-tetrahydro-4-methyl-2H-1,5-benzodiazepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-[(5-Bromo-2-methoxyphenyl)sulfonyl]-1,3,4,5-tetrahydro-4-methyl-2H-1,5-benzodiazepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.