4-羟基异戊酸
TL;DR: 4-羟基异戊酸 (CAS 77220-86-1) is a chemical compound with molecular formula CC(CC(=O)O)CO and molecular weight 118.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-羟基异戊酸
4-hydroxy-3-methylbutanoic acid
Also Known As: 4-Hydroxyisovaleric acid, 4-hydroxy-3-methylbutanoic acid, 4-Hydroxyisovalerate, 4-Hydroxyisopentanoate, 4-Hydroxyisopentanoic acid
| Molecular Formula | CC(CC(=O)O)CO |
|---|---|
| Molecular Weight | 118.06 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 118.062996 |
| Heavy Atoms | 8 |
| Complexity | 79.0 |
Chemical Identifiers
| CAS Number | 77220-86-1 |
|---|---|
| SMILES | CC(CC(=O)O)CO |
| InChIKey | ZGYGEPZZMAXSKH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-羟基异戊酸 (CAS 77220-86-1), with molecular formula CC(CC(=O)O)CO and molecular weight 118.06 g/mol. IUPAC: 4-hydroxy-3-methylbutanoic acid.
Chemical Property Profile of 4-羟基异戊酸
Property Insights of 4-羟基异戊酸
The XLogP value of -0.2 indicates that 4-羟基异戊酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.5 Ų, 4-羟基异戊酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-羟基异戊酸 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-羟基异戊酸?
The CAS number of 4-羟基异戊酸 is 77220-86-1.
What is the molecular formula of 4-羟基异戊酸?
The molecular formula of 4-羟基异戊酸 is CC(CC(=O)O)CO.
What is the molecular weight of 4-羟基异戊酸?
The molecular weight of 4-羟基异戊酸 is 118.06 g/mol.
Where can I buy 4-羟基异戊酸?
You can request a quote for 4-羟基异戊酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-羟基异戊酸?
Yes, KEHONG BIO provides custom synthesis services for 4-羟基异戊酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.