(S)-3-(methoxycarbonyl)-4-methylpentanoic acid
TL;DR: (S)-3-(methoxycarbonyl)-4-methylpentanoic acid (CAS 208113-95-5) is a chemical compound with molecular formula C8H14O4 and molecular weight 174.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-methoxycarbonyl-4-methylpentanoic acid
Also Known As: (S)-3-(methoxycarbonyl)-4-methylpentanoic acid, (S)-2-Isopropylsuccinic acid-1-methyl ester, (S)-2-Isopropylsuccinic acid 1-methyl ester, (3S)-3-methoxycarbonyl-4-methylpentanoic acid, 3-methoxycarbonyl-4-methyl-pentanoic Acid
| Molecular Formula | C8H14O4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 0.9063 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 174.0892 |
| Heavy Atoms | 12 |
| Complexity | 173.89667 |
Chemical Identifiers
| CAS Number | 208113-95-5 |
|---|---|
| SMILES | CC(C)[C@H](CC(=O)O)C(=O)OC |
Product Overview
(S)-3-(methoxycarbonyl)-4-methylpentanoic acid (CAS 208113-95-5), with molecular formula C8H14O4 and molecular weight 174.09 g/mol. IUPAC: (3S)-3-methoxycarbonyl-4-methylpentanoic acid.
Chemical Property Profile of (S)-3-(methoxycarbonyl)-4-methylpentanoic acid
Property Insights of (S)-3-(methoxycarbonyl)-4-methylpentanoic acid
The XLogP value of 0.9063 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-3-(methoxycarbonyl)-4-methylpentanoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-3-(methoxycarbonyl)-4-methylpentanoic acid. Following Lipinski's Rule of Five, (S)-3-(methoxycarbonyl)-4-methylpentanoic acid 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 (S)-3-(methoxycarbonyl)-4-methylpentanoic acid?
The CAS number of (S)-3-(methoxycarbonyl)-4-methylpentanoic acid is 208113-95-5.
What is the molecular formula of (S)-3-(methoxycarbonyl)-4-methylpentanoic acid?
The molecular formula of (S)-3-(methoxycarbonyl)-4-methylpentanoic acid is C8H14O4.
What is the molecular weight of (S)-3-(methoxycarbonyl)-4-methylpentanoic acid?
The molecular weight of (S)-3-(methoxycarbonyl)-4-methylpentanoic acid is 174.09 g/mol.
Where can I buy (S)-3-(methoxycarbonyl)-4-methylpentanoic acid?
You can request a quote for (S)-3-(methoxycarbonyl)-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 (S)-3-(methoxycarbonyl)-4-methylpentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-3-(methoxycarbonyl)-4-methylpentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.