3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
TL;DR: 3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one (CAS 508189-19-3) is a chemical compound with molecular formula C10H10BrNO and molecular weight 238.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-1,3,4,5-tetrahydro-1-benzazepin-2-one
Also Known As: 3-bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one, 3-bromo-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one, 3-Bromo-2,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one, a-bromobenzocaprolactam, 3-bromobenzocaprolactam
| Molecular Formula | C10H10BrNO |
|---|---|
| Molecular Weight | 238.99 g/mol |
| LogP | 2.3348 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 238.99458 |
| Heavy Atoms | 13 |
| Complexity | 337.45157 |
Chemical Identifiers
| CAS Number | 508189-19-3 |
|---|---|
| SMILES | C1CC2=CC=CC=C2NC(=O)C1Br |
Product Overview
3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one (CAS 508189-19-3), with molecular formula C10H10BrNO and molecular weight 238.99 g/mol. IUPAC: 3-bromo-1,3,4,5-tetrahydro-1-benzazepin-2-one.
Chemical Property Profile of 3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Property Insights of 3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
The XLogP value of 2.3348 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one. With a topological polar surface area (TPSA) of 29.1 Ų, 3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one has 1 hydrogen bond donor(s) and 1 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-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one?
The CAS number of 3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one is 508189-19-3.
What is the molecular formula of 3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one?
The molecular formula of 3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one is C10H10BrNO.
What is the molecular weight of 3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one?
The molecular weight of 3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one is 238.99 g/mol.
Where can I buy 3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one?
You can request a quote for 3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.