phenacyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
TL;DR: phenacyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate (CAS 6479-48-7) is a chemical compound with molecular formula C21H23NO5 and molecular weight 369.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenacyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
Also Known As: AB00944458-06, phenacyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate, 2-Oxo-2-phenylethyl N-[(benzyloxy)carbonyl]-L-valinate
| Molecular Formula | C21H23NO5 |
|---|---|
| Molecular Weight | 369.16 g/mol |
| LogP | 3.3635 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 369.15762 |
| Heavy Atoms | 27 |
| Complexity | 758.6561 |
Chemical Identifiers
| CAS Number | 6479-48-7 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)OCC(=O)C1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2 |
Product Overview
phenacyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate (CAS 6479-48-7), with molecular formula C21H23NO5 and molecular weight 369.16 g/mol. IUPAC: phenacyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate.
Chemical Property Profile of phenacyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
Property Insights of phenacyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
The XLogP value of 3.3635 indicates that phenacyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for phenacyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate. Following Lipinski's Rule of Five, phenacyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate has 1 hydrogen bond donor(s) and 5 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 phenacyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate?
The CAS number of phenacyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate is 6479-48-7.
What is the molecular formula of phenacyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate?
The molecular formula of phenacyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate is C21H23NO5.
What is the molecular weight of phenacyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate?
The molecular weight of phenacyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate is 369.16 g/mol.
Where can I buy phenacyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate?
You can request a quote for phenacyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for phenacyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate?
Yes, KEHONG BIO provides custom synthesis services for phenacyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.