3-羟基丙戊酸
TL;DR: 3-羟基丙戊酸 (CAS 58888-84-9) is a chemical compound with molecular formula CCCC(C(CC)O)C(=O)O and molecular weight 160.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-羟基丙戊酸
3-hydroxy-2-propylpentanoic acid
Also Known As: 3-Hydroxyvalproic acid, 3-Hydroxy-2-propylpentanoic acid, 2-Propyl-3-hydroxypentanoic acid, 3-Hydroxy Valproic Acid, 3-Hydroxy-valproic acid
| Molecular Formula | CCCC(C(CC)O)C(=O)O |
|---|---|
| Molecular Weight | 160.11 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 160.10994 |
| Heavy Atoms | 11 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 58888-84-9 |
|---|---|
| SMILES | CCCC(C(CC)O)C(=O)O |
| InChIKey | LLPFTSMZBSRZDV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-羟基丙戊酸 (CAS 58888-84-9), with molecular formula CCCC(C(CC)O)C(=O)O and molecular weight 160.11 g/mol. IUPAC: 3-hydroxy-2-propylpentanoic acid.
Chemical Property Profile of 3-羟基丙戊酸
Property Insights of 3-羟基丙戊酸
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-羟基丙戊酸. With a topological polar surface area (TPSA) of 57.5 Ų, 3-羟基丙戊酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-羟基丙戊酸 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 3-羟基丙戊酸?
The CAS number of 3-羟基丙戊酸 is 58888-84-9.
What is the molecular formula of 3-羟基丙戊酸?
The molecular formula of 3-羟基丙戊酸 is CCCC(C(CC)O)C(=O)O.
What is the molecular weight of 3-羟基丙戊酸?
The molecular weight of 3-羟基丙戊酸 is 160.11 g/mol.
Where can I buy 3-羟基丙戊酸?
You can request a quote for 3-羟基丙戊酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-羟基丙戊酸?
Yes, KEHONG BIO provides custom synthesis services for 3-羟基丙戊酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.