N-chloroacetyl-N-hydroxyleucine methyl ester
TL;DR: N-chloroacetyl-N-hydroxyleucine methyl ester (CAS 80147-41-7) is a chemical compound with molecular formula C9H16ClNO4 and molecular weight 237.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[(2-chloroacetyl)-hydroxyamino]-4-methylpentanoate
Also Known As: ClCH2CO-DL-(N-OH)leu-OCH3, N-Chloroacetyl-N-hydroxyleucine methyl ester, methyl n-(chloroacetyl)-n-hydroxy-l-leucinate, Methyl N-(chloroacetyl)-N-hydroxyleucinate, DL-Leucine, N-(chloroacetyl)-N-hydroxy-, methyl ester
| Molecular Formula | C9H16ClNO4 |
|---|---|
| Molecular Weight | 237.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 237.07678 |
| Heavy Atoms | 15 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 80147-41-7 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)OC)N(C(=O)CCl)O |
| InChIKey | KJLMTLDQYWPYMU-ZETCQYMHSA-N |
Product Overview
N-chloroacetyl-N-hydroxyleucine methyl ester (CAS 80147-41-7), with molecular formula C9H16ClNO4 and molecular weight 237.08 g/mol. IUPAC: methyl (2S)-2-[(2-chloroacetyl)-hydroxyamino]-4-methylpentanoate.
Chemical Property Profile of N-chloroacetyl-N-hydroxyleucine methyl ester
Property Insights of N-chloroacetyl-N-hydroxyleucine methyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-chloroacetyl-N-hydroxyleucine methyl ester. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-chloroacetyl-N-hydroxyleucine methyl ester. Following Lipinski's Rule of Five, N-chloroacetyl-N-hydroxyleucine methyl 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 N-chloroacetyl-N-hydroxyleucine methyl ester?
The CAS number of N-chloroacetyl-N-hydroxyleucine methyl ester is 80147-41-7.
What is the molecular formula of N-chloroacetyl-N-hydroxyleucine methyl ester?
The molecular formula of N-chloroacetyl-N-hydroxyleucine methyl ester is C9H16ClNO4.
What is the molecular weight of N-chloroacetyl-N-hydroxyleucine methyl ester?
The molecular weight of N-chloroacetyl-N-hydroxyleucine methyl ester is 237.08 g/mol.
Where can I buy N-chloroacetyl-N-hydroxyleucine methyl ester?
You can request a quote for N-chloroacetyl-N-hydroxyleucine methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-chloroacetyl-N-hydroxyleucine methyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-chloroacetyl-N-hydroxyleucine methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.