Alanine, N-benzyloxycarbonyl-3,3-dimethyl-, 2-propynyl ester, L-
TL;DR: Alanine, N-benzyloxycarbonyl-3,3-dimethyl-, 2-propynyl ester, L- (CAS 73680-52-1) is a chemical compound with molecular formula C16H19NO4 and molecular weight 289.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-ynyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate
Also Known As: L-N-Benzyloxycarbonyl-3,3-dimethylalanine 2-propynyl ester, ALANINE, N-BENZYLOXYCARBONYL-3,3-DIMETHYL-, 2-PROPYNYL ESTER, L-, prop-2-ynyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate, L-Valine, N-[(phenylmethoxy)carbonyl]-, 2-propynyl ester, Prop-2-yn-1-yl N-[(benzyloxy)(hydroxy)methylidene]valinate
| Molecular Formula | C16H19NO4 |
|---|---|
| Molecular Weight | 289.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 289.1314 |
| Heavy Atoms | 21 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 73680-52-1 |
|---|---|
| SMILES | CC(C)C(C(=O)OCC#C)NC(=O)OCC1=CC=CC=C1 |
| InChIKey | AHVKUWXEUVEHIV-UHFFFAOYSA-N |
Product Overview
Alanine, N-benzyloxycarbonyl-3,3-dimethyl-, 2-propynyl ester, L- (CAS 73680-52-1), with molecular formula C16H19NO4 and molecular weight 289.13 g/mol. IUPAC: prop-2-ynyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate.
Chemical Property Profile of Alanine, N-benzyloxycarbonyl-3,3-dimethyl-, 2-propynyl ester, L-
Property Insights of Alanine, N-benzyloxycarbonyl-3,3-dimethyl-, 2-propynyl ester, L-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alanine, N-benzyloxycarbonyl-3,3-dimethyl-, 2-propynyl ester, L-. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Alanine, N-benzyloxycarbonyl-3,3-dimethyl-, 2-propynyl ester, L-. Following Lipinski's Rule of Five, Alanine, N-benzyloxycarbonyl-3,3-dimethyl-, 2-propynyl ester, L- 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 Alanine, N-benzyloxycarbonyl-3,3-dimethyl-, 2-propynyl ester, L-?
The CAS number of Alanine, N-benzyloxycarbonyl-3,3-dimethyl-, 2-propynyl ester, L- is 73680-52-1.
What is the molecular formula of Alanine, N-benzyloxycarbonyl-3,3-dimethyl-, 2-propynyl ester, L-?
The molecular formula of Alanine, N-benzyloxycarbonyl-3,3-dimethyl-, 2-propynyl ester, L- is C16H19NO4.
What is the molecular weight of Alanine, N-benzyloxycarbonyl-3,3-dimethyl-, 2-propynyl ester, L-?
The molecular weight of Alanine, N-benzyloxycarbonyl-3,3-dimethyl-, 2-propynyl ester, L- is 289.13 g/mol.
Where can I buy Alanine, N-benzyloxycarbonyl-3,3-dimethyl-, 2-propynyl ester, L-?
You can request a quote for Alanine, N-benzyloxycarbonyl-3,3-dimethyl-, 2-propynyl ester, L- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alanine, N-benzyloxycarbonyl-3,3-dimethyl-, 2-propynyl ester, L-?
Yes, KEHONG BIO provides custom synthesis services for Alanine, N-benzyloxycarbonyl-3,3-dimethyl-, 2-propynyl ester, L- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.