(4-Chlorophenyl)-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)methanone
TL;DR: (4-Chlorophenyl)-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)methanone (CAS 147394-53-4) is a chemical compound with molecular formula C17H15ClO2 and molecular weight 286.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)methanone
Also Known As: BAS 01293659, BRD-K52406418-001-01-5, 7-(4-Chlorobenzoyl)-2,3,4,5-tetrahydro-1-benzoxepin, 7-(4-CHLOROBENZOYL)-2,3,4,5-TETRAHYDRO-1-BENZOXEPINE, (4-chlorophenyl)-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)methanone
| Molecular Formula | C17H15ClO2 |
|---|---|
| Molecular Weight | 286.08 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.07605 |
| Heavy Atoms | 20 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 147394-53-4 |
|---|---|
| SMILES | C1CCOC2=C(C1)C=C(C=C2)C(=O)C3=CC=C(C=C3)Cl |
| InChIKey | NZKJWRHDFIPPKE-UHFFFAOYSA-N |
Product Overview
(4-Chlorophenyl)-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)methanone (CAS 147394-53-4), with molecular formula C17H15ClO2 and molecular weight 286.08 g/mol. IUPAC: (4-chlorophenyl)-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)methanone.
Chemical Property Profile of (4-Chlorophenyl)-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)methanone
Property Insights of (4-Chlorophenyl)-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)methanone
The XLogP value of 4.6 indicates that (4-Chlorophenyl)-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (4-Chlorophenyl)-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Chlorophenyl)-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)methanone 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 (4-Chlorophenyl)-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)methanone?
The CAS number of (4-Chlorophenyl)-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)methanone is 147394-53-4.
What is the molecular formula of (4-Chlorophenyl)-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)methanone?
The molecular formula of (4-Chlorophenyl)-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)methanone is C17H15ClO2.
What is the molecular weight of (4-Chlorophenyl)-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)methanone?
The molecular weight of (4-Chlorophenyl)-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)methanone is 286.08 g/mol.
Where can I buy (4-Chlorophenyl)-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)methanone?
You can request a quote for (4-Chlorophenyl)-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Chlorophenyl)-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-Chlorophenyl)-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.