3-Chloro-2-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-1-benzoxepine
TL;DR: 3-Chloro-2-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-1-benzoxepine (CAS 380643-57-2) is a chemical compound with molecular formula C25H21ClO3 and molecular weight 404.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-1-benzoxepine
Also Known As: 3-chloro-2-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-1-benzoxepine, AE-848/12124052, 3-chloro-2-(3,4-dimethoxyphenyl)-5-(p-tolyl)benzo[b]oxepine
| Molecular Formula | C25H21ClO3 |
|---|---|
| Molecular Weight | 404.12 g/mol |
| LogP | 6.44392 |
| Topological Polar Surface Area | 27.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.11792 |
| Heavy Atoms | 29 |
| Complexity | 1111.1674 |
Chemical Identifiers
| CAS Number | 380643-57-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CC(=C(OC3=CC=CC=C32)C4=CC(=C(C=C4)OC)OC)Cl |
Product Overview
3-Chloro-2-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-1-benzoxepine (CAS 380643-57-2), with molecular formula C25H21ClO3 and molecular weight 404.12 g/mol. IUPAC: 3-chloro-2-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-1-benzoxepine.
Chemical Property Profile of 3-Chloro-2-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-1-benzoxepine
Property Insights of 3-Chloro-2-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-1-benzoxepine
The XLogP value of 6.44392 indicates that 3-Chloro-2-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-1-benzoxepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.69 Ų, 3-Chloro-2-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-1-benzoxepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-2-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-1-benzoxepine has 0 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-Chloro-2-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-1-benzoxepine?
The CAS number of 3-Chloro-2-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-1-benzoxepine is 380643-57-2.
What is the molecular formula of 3-Chloro-2-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-1-benzoxepine?
The molecular formula of 3-Chloro-2-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-1-benzoxepine is C25H21ClO3.
What is the molecular weight of 3-Chloro-2-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-1-benzoxepine?
The molecular weight of 3-Chloro-2-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-1-benzoxepine is 404.12 g/mol.
Where can I buy 3-Chloro-2-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-1-benzoxepine?
You can request a quote for 3-Chloro-2-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-1-benzoxepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-2-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-1-benzoxepine?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-2-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-1-benzoxepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.