L-Isoleucine, 1,1-dimethylethyl ester
TL;DR: L-Isoleucine, 1,1-dimethylethyl ester (CAS 119483-46-4) is a chemical compound with molecular formula C10H21NO2 and molecular weight 187.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (2S,3S)-2-amino-3-methylpentanoate
Also Known As: tert-Butyl L-isoleucinate, L-Ile-OBu-t, isoleucine t-butyl ester, H-Ile-Otbu Hydrochloride, isoleucine tert-butyl ester
| Molecular Formula | C10H21NO2 |
|---|---|
| Molecular Weight | 187.16 g/mol |
| LogP | 1.7015 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 187.15723 |
| Heavy Atoms | 13 |
| Complexity | 172.25378 |
Chemical Identifiers
| CAS Number | 119483-46-4 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)N |
Product Overview
L-Isoleucine, 1,1-dimethylethyl ester (CAS 119483-46-4), with molecular formula C10H21NO2 and molecular weight 187.16 g/mol. IUPAC: tert-butyl (2S,3S)-2-amino-3-methylpentanoate.
Chemical Property Profile of L-Isoleucine, 1,1-dimethylethyl ester
Property Insights of L-Isoleucine, 1,1-dimethylethyl ester
The XLogP value of 1.7015 suggests moderate lipophilicity, balancing water solubility and membrane permeability for L-Isoleucine, 1,1-dimethylethyl ester. With a topological polar surface area (TPSA) of 52.32 Ų, L-Isoleucine, 1,1-dimethylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, L-Isoleucine, 1,1-dimethylethyl ester 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 L-Isoleucine, 1,1-dimethylethyl ester?
The CAS number of L-Isoleucine, 1,1-dimethylethyl ester is 119483-46-4.
What is the molecular formula of L-Isoleucine, 1,1-dimethylethyl ester?
The molecular formula of L-Isoleucine, 1,1-dimethylethyl ester is C10H21NO2.
What is the molecular weight of L-Isoleucine, 1,1-dimethylethyl ester?
The molecular weight of L-Isoleucine, 1,1-dimethylethyl ester is 187.16 g/mol.
Where can I buy L-Isoleucine, 1,1-dimethylethyl ester?
You can request a quote for L-Isoleucine, 1,1-dimethylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L-Isoleucine, 1,1-dimethylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for L-Isoleucine, 1,1-dimethylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.