1-Benzoyl-1,3,4,5-tetrahydro-2,1-benzoxazepine
TL;DR: 1-Benzoyl-1,3,4,5-tetrahydro-2,1-benzoxazepine (CAS 95207-37-7) is a chemical compound with molecular formula C16H15NO2 and molecular weight 253.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dihydro-3H-2,1-benzoxazepin-1-yl(phenyl)methanone
Also Known As: 1-Benzoyl-1,3,4,5-tetrahydro-2,1-benzoxazepine, 2,1-Benzoxazepine, 1-benzoyl-1,3,4,5-tetrahydro-, 4,5-dihydro-3H-2,1-benzoxazepin-1-yl(phenyl)methanone, (4,5-Dihydro-2,1-benzoxazepin-1(3H)-yl)(phenyl)methanone, (8,9-Dihydro-7H-6-oxa-5-aza-benzocyclohepten-5-yl)-phenyl-methanone
| Molecular Formula | C16H15NO2 |
|---|---|
| Molecular Weight | 253.11 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 253.11028 |
| Heavy Atoms | 19 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 95207-37-7 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N(OC1)C(=O)C3=CC=CC=C3 |
| InChIKey | NMVOTJMRRADBQF-UHFFFAOYSA-N |
Product Overview
1-Benzoyl-1,3,4,5-tetrahydro-2,1-benzoxazepine (CAS 95207-37-7), with molecular formula C16H15NO2 and molecular weight 253.11 g/mol. IUPAC: 4,5-dihydro-3H-2,1-benzoxazepin-1-yl(phenyl)methanone.
Chemical Property Profile of 1-Benzoyl-1,3,4,5-tetrahydro-2,1-benzoxazepine
Property Insights of 1-Benzoyl-1,3,4,5-tetrahydro-2,1-benzoxazepine
The XLogP value of 3.4 indicates that 1-Benzoyl-1,3,4,5-tetrahydro-2,1-benzoxazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 1-Benzoyl-1,3,4,5-tetrahydro-2,1-benzoxazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzoyl-1,3,4,5-tetrahydro-2,1-benzoxazepine has 0 hydrogen bond donor(s) and 2 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 1-Benzoyl-1,3,4,5-tetrahydro-2,1-benzoxazepine?
The CAS number of 1-Benzoyl-1,3,4,5-tetrahydro-2,1-benzoxazepine is 95207-37-7.
What is the molecular formula of 1-Benzoyl-1,3,4,5-tetrahydro-2,1-benzoxazepine?
The molecular formula of 1-Benzoyl-1,3,4,5-tetrahydro-2,1-benzoxazepine is C16H15NO2.
What is the molecular weight of 1-Benzoyl-1,3,4,5-tetrahydro-2,1-benzoxazepine?
The molecular weight of 1-Benzoyl-1,3,4,5-tetrahydro-2,1-benzoxazepine is 253.11 g/mol.
Where can I buy 1-Benzoyl-1,3,4,5-tetrahydro-2,1-benzoxazepine?
You can request a quote for 1-Benzoyl-1,3,4,5-tetrahydro-2,1-benzoxazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzoyl-1,3,4,5-tetrahydro-2,1-benzoxazepine?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzoyl-1,3,4,5-tetrahydro-2,1-benzoxazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.