4-Thiaisoleucine
TL;DR: 4-Thiaisoleucine (CAS 443-80-1) is a chemical compound with molecular formula C5H11NO2S and molecular weight 149.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-methylsulfanylbutanoic acid
Also Known As: 4-Thiaisoleucine, DL-4-Thiaisoleucine, 2-AMINO-3-[METHYLTHIO]BUTYRIC ACID, 2-amino-3-methylsulfanylbutanoic acid, 2-amino-3-(methylsulfanyl)butanoic acid
| Molecular Formula | C5H11NO2S |
|---|---|
| Molecular Weight | 149.05 g/mol |
| LogP | 0.1498 |
| Topological Polar Surface Area | 63.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 149.05106 |
| Heavy Atoms | 9 |
| Complexity | 107.13112 |
Chemical Identifiers
| CAS Number | 443-80-1 |
|---|---|
| SMILES | CC(C(C(=O)O)N)SC |
Product Overview
4-Thiaisoleucine (CAS 443-80-1), with molecular formula C5H11NO2S and molecular weight 149.05 g/mol. IUPAC: 2-amino-3-methylsulfanylbutanoic acid.
Chemical Property Profile of 4-Thiaisoleucine
Property Insights of 4-Thiaisoleucine
The XLogP value of 0.1498 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Thiaisoleucine. The TPSA of 63.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Thiaisoleucine. Following Lipinski's Rule of Five, 4-Thiaisoleucine has 2 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 4-Thiaisoleucine?
The CAS number of 4-Thiaisoleucine is 443-80-1.
What is the molecular formula of 4-Thiaisoleucine?
The molecular formula of 4-Thiaisoleucine is C5H11NO2S.
What is the molecular weight of 4-Thiaisoleucine?
The molecular weight of 4-Thiaisoleucine is 149.05 g/mol.
Where can I buy 4-Thiaisoleucine?
You can request a quote for 4-Thiaisoleucine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Thiaisoleucine?
Yes, KEHONG BIO provides custom synthesis services for 4-Thiaisoleucine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.