2-(Mercaptomethyl)-4-methylpentanoic acid
TL;DR: 2-(Mercaptomethyl)-4-methylpentanoic acid (CAS 14933-29-0) is a chemical compound with molecular formula C7H14O2S and molecular weight 162.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2-(sulfanylmethyl)pentanoic acid
Also Known As: H-psi-(sch2)leucine, 4-methyl-2-(sulfanylmethyl)pentanoic acid, 2-(Mercaptomethyl)-4-methylpentanoic acid, 2-(Mercaptomethyl)-4-methylvaleric acid, 2-Mercaptomethyl-4-methyl-pentanoic acid
| Molecular Formula | C7H14O2S |
|---|---|
| Molecular Weight | 162.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 162.07146 |
| Heavy Atoms | 10 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 14933-29-0 |
|---|---|
| SMILES | CC(C)CC(CS)C(=O)O |
| InChIKey | GCTDRFXPPSVRRP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Mercaptomethyl)-4-methylpentanoic acid (CAS 14933-29-0), with molecular formula C7H14O2S and molecular weight 162.07 g/mol. IUPAC: 4-methyl-2-(sulfanylmethyl)pentanoic acid.
Chemical Property Profile of 2-(Mercaptomethyl)-4-methylpentanoic acid
Property Insights of 2-(Mercaptomethyl)-4-methylpentanoic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Mercaptomethyl)-4-methylpentanoic acid. With a topological polar surface area (TPSA) of 38.3 Ų, 2-(Mercaptomethyl)-4-methylpentanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Mercaptomethyl)-4-methylpentanoic acid 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 2-(Mercaptomethyl)-4-methylpentanoic acid?
The CAS number of 2-(Mercaptomethyl)-4-methylpentanoic acid is 14933-29-0.
What is the molecular formula of 2-(Mercaptomethyl)-4-methylpentanoic acid?
The molecular formula of 2-(Mercaptomethyl)-4-methylpentanoic acid is C7H14O2S.
What is the molecular weight of 2-(Mercaptomethyl)-4-methylpentanoic acid?
The molecular weight of 2-(Mercaptomethyl)-4-methylpentanoic acid is 162.07 g/mol.
Where can I buy 2-(Mercaptomethyl)-4-methylpentanoic acid?
You can request a quote for 2-(Mercaptomethyl)-4-methylpentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Mercaptomethyl)-4-methylpentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Mercaptomethyl)-4-methylpentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.