N-(3-Carboxyacryloyl)-L-leucine, 1-ethyl ester
TL;DR: N-(3-Carboxyacryloyl)-L-leucine, 1-ethyl ester (CAS 5330-49-4) is a chemical compound with molecular formula C12H19NO5 and molecular weight 257.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[(1-ethoxy-4-methyl-1-oxopentan-2-yl)amino]-4-oxobut-2-enoic acid
Also Known As: N-(3-CARBOXYACRYLOYL)-L-LEUCINE, 1-ETHYL ESTER, (E)-4-[(1-ethoxy-4-methyl-1-oxopentan-2-yl)amino]-4-oxobut-2-enoic acid, (2E)-4-[(1-Ethoxy-4-methyl-1-oxopentan-2-yl)amino]-4-oxobut-2-enoic acid
| Molecular Formula | C12H19NO5 |
|---|---|
| Molecular Weight | 257.13 g/mol |
| LogP | 0.7212 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 257.1263 |
| Heavy Atoms | 18 |
| Complexity | 335.35947 |
Chemical Identifiers
| CAS Number | 5330-49-4 |
|---|---|
| SMILES | CCOC(=O)C(CC(C)C)NC(=O)/C=C/C(=O)O |
Product Overview
N-(3-Carboxyacryloyl)-L-leucine, 1-ethyl ester (CAS 5330-49-4), with molecular formula C12H19NO5 and molecular weight 257.13 g/mol. IUPAC: (E)-4-[(1-ethoxy-4-methyl-1-oxopentan-2-yl)amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of N-(3-Carboxyacryloyl)-L-leucine, 1-ethyl ester
Property Insights of N-(3-Carboxyacryloyl)-L-leucine, 1-ethyl ester
The XLogP value of 0.7212 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-Carboxyacryloyl)-L-leucine, 1-ethyl ester. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-Carboxyacryloyl)-L-leucine, 1-ethyl ester. Following Lipinski's Rule of Five, N-(3-Carboxyacryloyl)-L-leucine, 1-ethyl ester has 2 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 N-(3-Carboxyacryloyl)-L-leucine, 1-ethyl ester?
The CAS number of N-(3-Carboxyacryloyl)-L-leucine, 1-ethyl ester is 5330-49-4.
What is the molecular formula of N-(3-Carboxyacryloyl)-L-leucine, 1-ethyl ester?
The molecular formula of N-(3-Carboxyacryloyl)-L-leucine, 1-ethyl ester is C12H19NO5.
What is the molecular weight of N-(3-Carboxyacryloyl)-L-leucine, 1-ethyl ester?
The molecular weight of N-(3-Carboxyacryloyl)-L-leucine, 1-ethyl ester is 257.13 g/mol.
Where can I buy N-(3-Carboxyacryloyl)-L-leucine, 1-ethyl ester?
You can request a quote for N-(3-Carboxyacryloyl)-L-leucine, 1-ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Carboxyacryloyl)-L-leucine, 1-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Carboxyacryloyl)-L-leucine, 1-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.