戊酸甲酯
TL;DR: 戊酸甲酯 (CAS 624-24-8) is a chemical compound with molecular formula C6H12O2 and molecular weight 116.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
戊酸甲酯
methyl pentanoate
Also Known As: METHYL VALERATE, Methyl pentanoate, Methyl n-valerate, Methyl valerianate, Pentanoic acid, methyl ester
| Molecular Formula | C6H12O2 |
|---|---|
| Molecular Weight | 116.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 116.08373 |
| Heavy Atoms | 8 |
| Complexity | 68.0 |
| Boiling Point | 126.5 °C at 760 mmHg |
| Density | 0.8947 at 20.0 °C - Less dense than water; will float |
| Solubility | less than 1 mg/mL at 72 °F (NTP, 1992) |
| Flash Point | 22.2 °C |
| Vapor Pressure | 63 mmHg at 51.1 °C ; 262 mmHg at 75.0 °C; 320 mmHg at 92.8 °C |
| Refractive Index | 1.393-1.399 |
Chemical Identifiers
| CAS Number | 624-24-8 |
|---|---|
| SMILES | CCCCC(=O)OC |
| InChIKey | HNBDRPTVWVGKBR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
戊酸甲酯 (CAS 624-24-8), with molecular formula C6H12O2 and molecular weight 116.08 g/mol. IUPAC: methyl pentanoate.
Chemical Property Profile of 戊酸甲酯
Property Insights of 戊酸甲酯
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 戊酸甲酯. With a topological polar surface area (TPSA) of 26.3 Ų, 戊酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 戊酸甲酯 has 0 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 戊酸甲酯?
The CAS number of 戊酸甲酯 is 624-24-8.
What is the molecular formula of 戊酸甲酯?
The molecular formula of 戊酸甲酯 is C6H12O2.
What is the molecular weight of 戊酸甲酯?
The molecular weight of 戊酸甲酯 is 116.08 g/mol.
Where can I buy 戊酸甲酯?
You can request a quote for 戊酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 戊酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 戊酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.