N-ethylcarbaminomethyl-L-isoleucine
TL;DR: N-ethylcarbaminomethyl-L-isoleucine (CAS 24796-57-4) is a chemical compound with molecular formula C10H20N2O4 and molecular weight 232.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S)-2-[(ethoxycarbonylamino)methylamino]-3-methylpentanoic acid
Also Known As: N-Ethylcarbaminomethyl-L-isoleucine, A-145[Amino acid], A-145[Antiviral drug], A-145, N-(((Ethoxycarbonyl)amino)methyl)-L-isoleucine
| Molecular Formula | C10H20N2O4 |
|---|---|
| Molecular Weight | 232.14 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 232.1423 |
| Heavy Atoms | 16 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 24796-57-4 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)O)NCNC(=O)OCC |
| InChIKey | SCNSGPWOIGVSNJ-YUMQZZPRSA-N |
Product Overview
N-ethylcarbaminomethyl-L-isoleucine (CAS 24796-57-4), with molecular formula C10H20N2O4 and molecular weight 232.14 g/mol. IUPAC: (2S,3S)-2-[(ethoxycarbonylamino)methylamino]-3-methylpentanoic acid.
Chemical Property Profile of N-ethylcarbaminomethyl-L-isoleucine
Property Insights of N-ethylcarbaminomethyl-L-isoleucine
The XLogP value of -1.0 indicates that N-ethylcarbaminomethyl-L-isoleucine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-ethylcarbaminomethyl-L-isoleucine. Following Lipinski's Rule of Five, N-ethylcarbaminomethyl-L-isoleucine has 3 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 N-ethylcarbaminomethyl-L-isoleucine?
The CAS number of N-ethylcarbaminomethyl-L-isoleucine is 24796-57-4.
What is the molecular formula of N-ethylcarbaminomethyl-L-isoleucine?
The molecular formula of N-ethylcarbaminomethyl-L-isoleucine is C10H20N2O4.
What is the molecular weight of N-ethylcarbaminomethyl-L-isoleucine?
The molecular weight of N-ethylcarbaminomethyl-L-isoleucine is 232.14 g/mol.
Where can I buy N-ethylcarbaminomethyl-L-isoleucine?
You can request a quote for N-ethylcarbaminomethyl-L-isoleucine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-ethylcarbaminomethyl-L-isoleucine?
Yes, KEHONG BIO provides custom synthesis services for N-ethylcarbaminomethyl-L-isoleucine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.