己酸与1,2,3-丙三醇酯
TL;DR: 己酸与1,2,3-丙三醇酯 (CAS 31873-40-2) is a chemical compound with molecular formula C9H20O5 and molecular weight 208.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
己酸与1,2,3-丙三醇酯
hexanoic acid;propane-1,2,3-triol
Also Known As: (1,4) benzodiazepine, Hexanoic acid, ester with 1,2,3-propanetriol, Hexanoic acid, monoester with 1,2,3-propanetriol, GLYCEROL; HEXANOIC ACID, hexanoic acid,propane-1,2,3-triol
| Molecular Formula | C9H20O5 |
|---|---|
| Molecular Weight | 208.13 g/mol |
| LogP | -0.0168 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 208.13107 |
| Heavy Atoms | 14 |
| Complexity | 94.0 |
Chemical Identifiers
| CAS Number | 31873-40-2 |
|---|---|
| SMILES | CCCCCC(=O)O.C(C(CO)O)O |
| InChIKey | YEAZPMHWNDZTLC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
己酸与1,2,3-丙三醇酯 (CAS 31873-40-2), with molecular formula C9H20O5 and molecular weight 208.13 g/mol. IUPAC: hexanoic acid;propane-1,2,3-triol.
Chemical Property Profile of 己酸与1,2,3-丙三醇酯
Property Insights of 己酸与1,2,3-丙三醇酯
The XLogP value of -0.0168 indicates that 己酸与1,2,3-丙三醇酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 己酸与1,2,3-丙三醇酯. Following Lipinski's Rule of Five, 己酸与1,2,3-丙三醇酯 has 4 hydrogen bond donor(s) and 5 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 己酸与1,2,3-丙三醇酯?
The CAS number of 己酸与1,2,3-丙三醇酯 is 31873-40-2.
What is the molecular formula of 己酸与1,2,3-丙三醇酯?
The molecular formula of 己酸与1,2,3-丙三醇酯 is C9H20O5.
What is the molecular weight of 己酸与1,2,3-丙三醇酯?
The molecular weight of 己酸与1,2,3-丙三醇酯 is 208.13 g/mol.
Where can I buy 己酸与1,2,3-丙三醇酯?
You can request a quote for 己酸与1,2,3-丙三醇酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 己酸与1,2,3-丙三醇酯?
Yes, KEHONG BIO provides custom synthesis services for 己酸与1,2,3-丙三醇酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.