methyl N-(5-phenyl-3,4-dihydro-2H-1-benzoxepin-5-yl)carbamate
TL;DR: methyl N-(5-phenyl-3,4-dihydro-2H-1-benzoxepin-5-yl)carbamate (CAS 94164-95-1) is a chemical compound with molecular formula C18H19NO3 and molecular weight 297.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(5-phenyl-3,4-dihydro-2H-1-benzoxepin-5-yl)carbamate
Also Known As: SK 25512, methyl N-(5-phenyl-3,4-dihydro-2H-1-benzoxepin-5-yl)carbamate, Methyl-5-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-carbamat
| Molecular Formula | C18H19NO3 |
|---|---|
| Molecular Weight | 297.14 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.1365 |
| Heavy Atoms | 22 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 94164-95-1 |
|---|---|
| SMILES | COC(=O)NC1(CCCOC2=CC=CC=C21)C3=CC=CC=C3 |
| InChIKey | ZAERTVCGRWMYIA-UHFFFAOYSA-N |
Product Overview
methyl N-(5-phenyl-3,4-dihydro-2H-1-benzoxepin-5-yl)carbamate (CAS 94164-95-1), with molecular formula C18H19NO3 and molecular weight 297.14 g/mol. IUPAC: methyl N-(5-phenyl-3,4-dihydro-2H-1-benzoxepin-5-yl)carbamate.
Chemical Property Profile of methyl N-(5-phenyl-3,4-dihydro-2H-1-benzoxepin-5-yl)carbamate
Property Insights of methyl N-(5-phenyl-3,4-dihydro-2H-1-benzoxepin-5-yl)carbamate
The XLogP value of 3.4 indicates that methyl N-(5-phenyl-3,4-dihydro-2H-1-benzoxepin-5-yl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, methyl N-(5-phenyl-3,4-dihydro-2H-1-benzoxepin-5-yl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl N-(5-phenyl-3,4-dihydro-2H-1-benzoxepin-5-yl)carbamate has 1 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 methyl N-(5-phenyl-3,4-dihydro-2H-1-benzoxepin-5-yl)carbamate?
The CAS number of methyl N-(5-phenyl-3,4-dihydro-2H-1-benzoxepin-5-yl)carbamate is 94164-95-1.
What is the molecular formula of methyl N-(5-phenyl-3,4-dihydro-2H-1-benzoxepin-5-yl)carbamate?
The molecular formula of methyl N-(5-phenyl-3,4-dihydro-2H-1-benzoxepin-5-yl)carbamate is C18H19NO3.
What is the molecular weight of methyl N-(5-phenyl-3,4-dihydro-2H-1-benzoxepin-5-yl)carbamate?
The molecular weight of methyl N-(5-phenyl-3,4-dihydro-2H-1-benzoxepin-5-yl)carbamate is 297.14 g/mol.
Where can I buy methyl N-(5-phenyl-3,4-dihydro-2H-1-benzoxepin-5-yl)carbamate?
You can request a quote for methyl N-(5-phenyl-3,4-dihydro-2H-1-benzoxepin-5-yl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-(5-phenyl-3,4-dihydro-2H-1-benzoxepin-5-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-(5-phenyl-3,4-dihydro-2H-1-benzoxepin-5-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.