(8-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)(phenyl)methanone
TL;DR: (8-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)(phenyl)methanone (CAS 175136-38-6) is a chemical compound with molecular formula C16H13BrO3 and molecular weight 332.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-phenylmethanone
Also Known As: 1,4-Butanesultam, Maybridge1_002280, (8-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)(phenyl)methanone, BAS 01293624, BIM-0021641.P001
| Molecular Formula | C16H13BrO3 |
|---|---|
| Molecular Weight | 332.00 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.00482 |
| Heavy Atoms | 20 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 175136-38-6 |
|---|---|
| SMILES | C1COC2=C(C=C(C(=C2)C(=O)C3=CC=CC=C3)Br)OC1 |
| InChIKey | AECNFLAZVMSKTC-UHFFFAOYSA-N |
Product Overview
(8-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)(phenyl)methanone (CAS 175136-38-6), with molecular formula C16H13BrO3 and molecular weight 332.00 g/mol. IUPAC: (7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-phenylmethanone.
Chemical Property Profile of (8-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)(phenyl)methanone
Property Insights of (8-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)(phenyl)methanone
The XLogP value of 4.0 indicates that (8-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)(phenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, (8-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)(phenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (8-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)(phenyl)methanone 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 (8-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)(phenyl)methanone?
The CAS number of (8-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)(phenyl)methanone is 175136-38-6.
What is the molecular formula of (8-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)(phenyl)methanone?
The molecular formula of (8-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)(phenyl)methanone is C16H13BrO3.
What is the molecular weight of (8-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)(phenyl)methanone?
The molecular weight of (8-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)(phenyl)methanone is 332.00 g/mol.
Where can I buy (8-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)(phenyl)methanone?
You can request a quote for (8-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)(phenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (8-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)(phenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (8-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)(phenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.