Einecs 213-070-4
TL;DR: Einecs 213-070-4 (CAS 921-74-4) is a chemical compound with molecular formula C8H17NO2 and molecular weight 159.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2S)-2-amino-3-methylpentanoate
Also Known As: Ethyl L-isoleucinate, ethyl isoleucinate, L-Isoleucine, ethyl ester, Isoleucine, ethyl ester, L-, ethyl (2S)-2-amino-3-methylpentanoate
| Molecular Formula | C8H17NO2 |
|---|---|
| Molecular Weight | 159.13 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 159.12593 |
| Heavy Atoms | 11 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 921-74-4 |
|---|---|
| SMILES | CCC(C)[C@@H](C(=O)OCC)N |
| InChIKey | ICPWNTVICOHCML-MLWJPKLSSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Einecs 213-070-4 (CAS 921-74-4), with molecular formula C8H17NO2 and molecular weight 159.13 g/mol. IUPAC: ethyl (2S)-2-amino-3-methylpentanoate.
Chemical Property Profile of Einecs 213-070-4
Property Insights of Einecs 213-070-4
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Einecs 213-070-4. With a topological polar surface area (TPSA) of 52.3 Ų, Einecs 213-070-4 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Einecs 213-070-4 has 1 hydrogen bond donor(s) and 3 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 Einecs 213-070-4?
The CAS number of Einecs 213-070-4 is 921-74-4.
What is the molecular formula of Einecs 213-070-4?
The molecular formula of Einecs 213-070-4 is C8H17NO2.
What is the molecular weight of Einecs 213-070-4?
The molecular weight of Einecs 213-070-4 is 159.13 g/mol.
Where can I buy Einecs 213-070-4?
You can request a quote for Einecs 213-070-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 213-070-4?
Yes, KEHONG BIO provides custom synthesis services for Einecs 213-070-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.