3-(4-Chlorophenyl)-7-hydroxy-2H-naphth(1,8-bc)oxepin-2-one
TL;DR: 3-(4-Chlorophenyl)-7-hydroxy-2H-naphth(1,8-bc)oxepin-2-one (CAS 27667-38-5) is a chemical compound with molecular formula C19H11ClO3 and molecular weight 322.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-(4-chlorophenyl)-4-hydroxy-10-oxatricyclo[7.4.1.05,14]tetradeca-1(14),2,4,6,8,12-hexaen-11-one
Also Known As: 3-7-hydroxy-2h-naphth[1,8-bc]oxepin-2-one, 3-(p-Chlorophenyl)-7-hydroxy-2H-naphth[1,8-bc]oxepin-2-one, 3-(4-Chlorophenyl)-7-hydroxy-2H-naphth[1,8-bc]oxepin-2-one, 3-(4-Chlorophenyl)-7-hydroxy-2H-naphtho[1,8-bc]oxepin-2-one, 3-(4-Chlorophenyl)-7-hydroxy-2H-naphth(1,8-bc)oxepin-2-one
| Molecular Formula | C19H11ClO3 |
|---|---|
| Molecular Weight | 322.04 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 322.03967 |
| Heavy Atoms | 23 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 27667-38-5 |
|---|---|
| SMILES | C1=CC2=C(C=CC3=C2C(=C1)OC(=O)C(=C3)C4=CC=C(C=C4)Cl)O |
| InChIKey | OUGBMVCXSARGGW-UHFFFAOYSA-N |
Product Overview
3-(4-Chlorophenyl)-7-hydroxy-2H-naphth(1,8-bc)oxepin-2-one (CAS 27667-38-5), with molecular formula C19H11ClO3 and molecular weight 322.04 g/mol. IUPAC: 12-(4-chlorophenyl)-4-hydroxy-10-oxatricyclo[7.4.1.05,14]tetradeca-1(14),2,4,6,8,12-hexaen-11-one.
Chemical Property Profile of 3-(4-Chlorophenyl)-7-hydroxy-2H-naphth(1,8-bc)oxepin-2-one
Property Insights of 3-(4-Chlorophenyl)-7-hydroxy-2H-naphth(1,8-bc)oxepin-2-one
The XLogP value of 5.1 indicates that 3-(4-Chlorophenyl)-7-hydroxy-2H-naphth(1,8-bc)oxepin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 3-(4-Chlorophenyl)-7-hydroxy-2H-naphth(1,8-bc)oxepin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)-7-hydroxy-2H-naphth(1,8-bc)oxepin-2-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-Chlorophenyl)-7-hydroxy-2H-naphth(1,8-bc)oxepin-2-one?
The CAS number of 3-(4-Chlorophenyl)-7-hydroxy-2H-naphth(1,8-bc)oxepin-2-one is 27667-38-5.
What is the molecular formula of 3-(4-Chlorophenyl)-7-hydroxy-2H-naphth(1,8-bc)oxepin-2-one?
The molecular formula of 3-(4-Chlorophenyl)-7-hydroxy-2H-naphth(1,8-bc)oxepin-2-one is C19H11ClO3.
What is the molecular weight of 3-(4-Chlorophenyl)-7-hydroxy-2H-naphth(1,8-bc)oxepin-2-one?
The molecular weight of 3-(4-Chlorophenyl)-7-hydroxy-2H-naphth(1,8-bc)oxepin-2-one is 322.04 g/mol.
Where can I buy 3-(4-Chlorophenyl)-7-hydroxy-2H-naphth(1,8-bc)oxepin-2-one?
You can request a quote for 3-(4-Chlorophenyl)-7-hydroxy-2H-naphth(1,8-bc)oxepin-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-(4-Chlorophenyl)-7-hydroxy-2H-naphth(1,8-bc)oxepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenyl)-7-hydroxy-2H-naphth(1,8-bc)oxepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.