丙戊酸
TL;DR: 丙戊酸 (CAS 99-66-1) is a chemical compound with molecular formula C8H16O2 and molecular weight 144.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丙戊酸
2-propylpentanoic acid
Also Known As: VALPROIC ACID, 2-Propylpentanoic acid, Valproate, Depakene, Depakine
| Molecular Formula | C8H16O2 |
|---|---|
| Molecular Weight | 144.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 144.11504 |
| Heavy Atoms | 10 |
| Complexity | 93.0 |
| Boiling Point | 220.0 °C at 760 mmHg |
| Density | 0.922 at 0.0 °C - Less dense than water; will float |
| Solubility | less than 1 mg/mL at 72 °F (NTP, 1992) |
| Flash Point | 111.1 °C |
| Refractive Index | = 1.425 at 24.5 °C |
Chemical Identifiers
| CAS Number | 99-66-1 |
|---|---|
| SMILES | CCCC(CCC)C(=O)O |
| InChIKey | NIJJYAXOARWZEE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丙戊酸 (CAS 99-66-1), with molecular formula C8H16O2 and molecular weight 144.12 g/mol. IUPAC: 2-propylpentanoic acid.
Chemical Property Profile of 丙戊酸
Property Insights of 丙戊酸
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丙戊酸. With a topological polar surface area (TPSA) of 37.3 Ų, 丙戊酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丙戊酸 has 1 hydrogen bond donor(s) and 2 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 丙戊酸?
The CAS number of 丙戊酸 is 99-66-1.
What is the molecular formula of 丙戊酸?
The molecular formula of 丙戊酸 is C8H16O2.
What is the molecular weight of 丙戊酸?
The molecular weight of 丙戊酸 is 144.12 g/mol.
Where can I buy 丙戊酸?
You can request a quote for 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 丙戊酸?
Yes, KEHONG BIO provides custom synthesis services for 丙戊酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.