Valine, N-(2,2-diphenylacetyl)-, 2-oxo-2-phenylethyl ester
TL;DR: Valine, N-(2,2-diphenylacetyl)-, 2-oxo-2-phenylethyl ester (CAS 1396997-11-7) is a chemical compound with molecular formula C27H27NO4 and molecular weight 429.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenacyl 2-[(2,2-diphenylacetyl)amino]-3-methylbutanoate
Also Known As: BAS 01362717, 2-Oxo-2-phenylethyl N-(diphenylacetyl)valinate, Valine, N-(2,2-diphenylacetyl)-, 2-oxo-2-phenylethyl ester, phenacyl 2-[(2,2-diphenylacetyl)amino]-3-methylbutanoate, 2-Diphenylacetylamino-3-methyl-butyric acid 2-oxo-2-phenyl-ethyl ester
| Molecular Formula | C27H27NO4 |
|---|---|
| Molecular Weight | 429.19 g/mol |
| LogP | 4.3854 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 429.194 |
| Heavy Atoms | 32 |
| Complexity | 993.526 |
Chemical Identifiers
| CAS Number | 1396997-11-7 |
|---|---|
| SMILES | CC(C)C(C(=O)OCC(=O)C1=CC=CC=C1)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 |
Product Overview
Valine, N-(2,2-diphenylacetyl)-, 2-oxo-2-phenylethyl ester (CAS 1396997-11-7), with molecular formula C27H27NO4 and molecular weight 429.19 g/mol. IUPAC: phenacyl 2-[(2,2-diphenylacetyl)amino]-3-methylbutanoate.
Chemical Property Profile of Valine, N-(2,2-diphenylacetyl)-, 2-oxo-2-phenylethyl ester
Property Insights of Valine, N-(2,2-diphenylacetyl)-, 2-oxo-2-phenylethyl ester
The XLogP value of 4.3854 indicates that Valine, N-(2,2-diphenylacetyl)-, 2-oxo-2-phenylethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Valine, N-(2,2-diphenylacetyl)-, 2-oxo-2-phenylethyl ester. Following Lipinski's Rule of Five, Valine, N-(2,2-diphenylacetyl)-, 2-oxo-2-phenylethyl ester has 1 hydrogen bond donor(s) and 4 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 Valine, N-(2,2-diphenylacetyl)-, 2-oxo-2-phenylethyl ester?
The CAS number of Valine, N-(2,2-diphenylacetyl)-, 2-oxo-2-phenylethyl ester is 1396997-11-7.
What is the molecular formula of Valine, N-(2,2-diphenylacetyl)-, 2-oxo-2-phenylethyl ester?
The molecular formula of Valine, N-(2,2-diphenylacetyl)-, 2-oxo-2-phenylethyl ester is C27H27NO4.
What is the molecular weight of Valine, N-(2,2-diphenylacetyl)-, 2-oxo-2-phenylethyl ester?
The molecular weight of Valine, N-(2,2-diphenylacetyl)-, 2-oxo-2-phenylethyl ester is 429.19 g/mol.
Where can I buy Valine, N-(2,2-diphenylacetyl)-, 2-oxo-2-phenylethyl ester?
You can request a quote for Valine, N-(2,2-diphenylacetyl)-, 2-oxo-2-phenylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Valine, N-(2,2-diphenylacetyl)-, 2-oxo-2-phenylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Valine, N-(2,2-diphenylacetyl)-, 2-oxo-2-phenylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.