山梨酸丙酯
TL;DR: 山梨酸丙酯 (CAS 10297-72-0) is a chemical compound with molecular formula C9H14O2 and molecular weight 154.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
山梨酸丙酯
propyl hexa-2,4-dienoate
Also Known As: Propyl sorbate, Sorbic acid, propyl ester, propyl hexa-2,4-dienoate, Propyl, 2,4-hexadienoate, 2,4-Hexadienoic acid, propyl ester
| Molecular Formula | C9H14O2 |
|---|---|
| Molecular Weight | 154.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 154.09938 |
| Heavy Atoms | 11 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 10297-72-0 |
|---|---|
| SMILES | CCCOC(=O)C=CC=CC |
| InChIKey | JAVXBQKCKGHZHM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
山梨酸丙酯 (CAS 10297-72-0), with molecular formula C9H14O2 and molecular weight 154.10 g/mol. IUPAC: propyl hexa-2,4-dienoate.
Chemical Property Profile of 山梨酸丙酯
Property Insights of 山梨酸丙酯
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 山梨酸丙酯. With a topological polar surface area (TPSA) of 26.3 Ų, 山梨酸丙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 山梨酸丙酯 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 山梨酸丙酯?
The CAS number of 山梨酸丙酯 is 10297-72-0.
What is the molecular formula of 山梨酸丙酯?
The molecular formula of 山梨酸丙酯 is C9H14O2.
What is the molecular weight of 山梨酸丙酯?
The molecular weight of 山梨酸丙酯 is 154.10 g/mol.
Where can I buy 山梨酸丙酯?
You can request a quote for 山梨酸丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 山梨酸丙酯?
Yes, KEHONG BIO provides custom synthesis services for 山梨酸丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.