1H-Azepin-4-ol, hexahydro-1-phenethyl-4-phenyl-, propionate (ester)
TL;DR: 1H-Azepin-4-ol, hexahydro-1-phenethyl-4-phenyl-, propionate (ester) (CAS 3397-67-9) is a chemical compound with molecular formula C23H29NO2 and molecular weight 351.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-phenyl-1-(2-phenylethyl)azepan-4-yl] propanoate
Also Known As: 1-Phenethyl-4-phenyl-4-propionyloxyazacycloheptane, (1-phenethyl-4-phenylazepan-4-yl) propanoate, 5-21-02-00398 (Beilstein Handbook Reference), 4-Phenyl-1-(2-phenylethyl)azepan-4-yl propanoate, 1-Phenethyl-4-phenylhexahydro-1H-azepin-4-ol propionate (ester)
| Molecular Formula | C23H29NO2 |
|---|---|
| Molecular Weight | 351.22 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 351.21982 |
| Heavy Atoms | 26 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 3397-67-9 |
|---|---|
| SMILES | CCC(=O)OC1(CCCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | PXYFQMHJUBSUJF-UHFFFAOYSA-N |
Product Overview
1H-Azepin-4-ol, hexahydro-1-phenethyl-4-phenyl-, propionate (ester) (CAS 3397-67-9), with molecular formula C23H29NO2 and molecular weight 351.22 g/mol. IUPAC: [4-phenyl-1-(2-phenylethyl)azepan-4-yl] propanoate.
Chemical Property Profile of 1H-Azepin-4-ol, hexahydro-1-phenethyl-4-phenyl-, propionate (ester)
Property Insights of 1H-Azepin-4-ol, hexahydro-1-phenethyl-4-phenyl-, propionate (ester)
The XLogP value of 4.8 indicates that 1H-Azepin-4-ol, hexahydro-1-phenethyl-4-phenyl-, propionate (ester) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 1H-Azepin-4-ol, hexahydro-1-phenethyl-4-phenyl-, propionate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Azepin-4-ol, hexahydro-1-phenethyl-4-phenyl-, propionate (ester) has 0 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 1H-Azepin-4-ol, hexahydro-1-phenethyl-4-phenyl-, propionate (ester)?
The CAS number of 1H-Azepin-4-ol, hexahydro-1-phenethyl-4-phenyl-, propionate (ester) is 3397-67-9.
What is the molecular formula of 1H-Azepin-4-ol, hexahydro-1-phenethyl-4-phenyl-, propionate (ester)?
The molecular formula of 1H-Azepin-4-ol, hexahydro-1-phenethyl-4-phenyl-, propionate (ester) is C23H29NO2.
What is the molecular weight of 1H-Azepin-4-ol, hexahydro-1-phenethyl-4-phenyl-, propionate (ester)?
The molecular weight of 1H-Azepin-4-ol, hexahydro-1-phenethyl-4-phenyl-, propionate (ester) is 351.22 g/mol.
Where can I buy 1H-Azepin-4-ol, hexahydro-1-phenethyl-4-phenyl-, propionate (ester)?
You can request a quote for 1H-Azepin-4-ol, hexahydro-1-phenethyl-4-phenyl-, propionate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Azepin-4-ol, hexahydro-1-phenethyl-4-phenyl-, propionate (ester)?
Yes, KEHONG BIO provides custom synthesis services for 1H-Azepin-4-ol, hexahydro-1-phenethyl-4-phenyl-, propionate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.