(3S)-3-methoxycarbonyl-4-methyl-pentanoic acid
TL;DR: (3S)-3-methoxycarbonyl-4-methyl-pentanoic acid (CAS 618447-22-6) 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.
3-methoxycarbonyl-4-methylpentanoic acid
Also Known As: BARIUMNIOBIUMOXIDE, 3-(methoxycarbonyl)-4-methylpentanoic acid, (r)-3-(methoxycarbonyl)-4-methylpentanoic acid, 3-methoxycarbonyl-4-methyl-pentanoic Acid, (S)-2-Isopropylsuccinic acid-1-methyl ester
| 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 | 618447-22-6 |
|---|---|
| SMILES | CC(C)C(CC(=O)O)C(=O)OC |
Product Overview
(3S)-3-methoxycarbonyl-4-methyl-pentanoic acid (CAS 618447-22-6), with molecular formula C8H14O4 and molecular weight 174.09 g/mol. IUPAC: 3-methoxycarbonyl-4-methylpentanoic acid.
Chemical Property Profile of (3S)-3-methoxycarbonyl-4-methyl-pentanoic acid
Property Insights of (3S)-3-methoxycarbonyl-4-methyl-pentanoic acid
The XLogP value of 0.9063 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-3-methoxycarbonyl-4-methyl-pentanoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S)-3-methoxycarbonyl-4-methyl-pentanoic acid. Following Lipinski's Rule of Five, (3S)-3-methoxycarbonyl-4-methyl-pentanoic 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 (3S)-3-methoxycarbonyl-4-methyl-pentanoic acid?
The CAS number of (3S)-3-methoxycarbonyl-4-methyl-pentanoic acid is 618447-22-6.
What is the molecular formula of (3S)-3-methoxycarbonyl-4-methyl-pentanoic acid?
The molecular formula of (3S)-3-methoxycarbonyl-4-methyl-pentanoic acid is C8H14O4.
What is the molecular weight of (3S)-3-methoxycarbonyl-4-methyl-pentanoic acid?
The molecular weight of (3S)-3-methoxycarbonyl-4-methyl-pentanoic acid is 174.09 g/mol.
Where can I buy (3S)-3-methoxycarbonyl-4-methyl-pentanoic acid?
You can request a quote for (3S)-3-methoxycarbonyl-4-methyl-pentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S)-3-methoxycarbonyl-4-methyl-pentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (3S)-3-methoxycarbonyl-4-methyl-pentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.