(S)-methyl 2-(azepane-1-carboxamido)-3-phenylpropanoate
TL;DR: (S)-methyl 2-(azepane-1-carboxamido)-3-phenylpropanoate (CAS 1173669-15-2) is a chemical compound with molecular formula C17H24N2O3 and molecular weight 304.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-(azepane-1-carbonylamino)-3-phenylpropanoate
Also Known As: (S)-methyl 2-(azepane-1-carboxamido)-3-phenylpropanoate, methyl (2S)-2-(azepane-1-carbonylamino)-3-phenylpropanoate
| Molecular Formula | C17H24N2O3 |
|---|---|
| Molecular Weight | 304.18 g/mol |
| LogP | 2.3563 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.17868 |
| Heavy Atoms | 22 |
| Complexity | 481.93723 |
Chemical Identifiers
| CAS Number | 1173669-15-2 |
|---|---|
| SMILES | COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)N2CCCCCC2 |
Product Overview
(S)-methyl 2-(azepane-1-carboxamido)-3-phenylpropanoate (CAS 1173669-15-2), with molecular formula C17H24N2O3 and molecular weight 304.18 g/mol. IUPAC: methyl (2S)-2-(azepane-1-carbonylamino)-3-phenylpropanoate.
Chemical Property Profile of (S)-methyl 2-(azepane-1-carboxamido)-3-phenylpropanoate
Property Insights of (S)-methyl 2-(azepane-1-carboxamido)-3-phenylpropanoate
The XLogP value of 2.3563 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-methyl 2-(azepane-1-carboxamido)-3-phenylpropanoate. With a topological polar surface area (TPSA) of 58.64 Ų, (S)-methyl 2-(azepane-1-carboxamido)-3-phenylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-methyl 2-(azepane-1-carboxamido)-3-phenylpropanoate 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 (S)-methyl 2-(azepane-1-carboxamido)-3-phenylpropanoate?
The CAS number of (S)-methyl 2-(azepane-1-carboxamido)-3-phenylpropanoate is 1173669-15-2.
What is the molecular formula of (S)-methyl 2-(azepane-1-carboxamido)-3-phenylpropanoate?
The molecular formula of (S)-methyl 2-(azepane-1-carboxamido)-3-phenylpropanoate is C17H24N2O3.
What is the molecular weight of (S)-methyl 2-(azepane-1-carboxamido)-3-phenylpropanoate?
The molecular weight of (S)-methyl 2-(azepane-1-carboxamido)-3-phenylpropanoate is 304.18 g/mol.
Where can I buy (S)-methyl 2-(azepane-1-carboxamido)-3-phenylpropanoate?
You can request a quote for (S)-methyl 2-(azepane-1-carboxamido)-3-phenylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-methyl 2-(azepane-1-carboxamido)-3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-methyl 2-(azepane-1-carboxamido)-3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.