Monocaproin
TL;DR: Monocaproin (CAS 5449-98-9) is a chemical compound with molecular formula C9H18O4 and molecular weight 190.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dihydroxypropyl hexanoate
Also Known As: 1-Hexylglycerol, MONOCAPROIN, 2,3-Dihydroxypropyl hexanoate, 1-hexanoin, 1-Monohexanoin
| Molecular Formula | C9H18O4 |
|---|---|
| Molecular Weight | 190.12 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 190.12051 |
| Heavy Atoms | 13 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 5449-98-9 |
|---|---|
| SMILES | CCCCCC(=O)OCC(CO)O |
| InChIKey | RRZWKUGIZRDCPB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Monocaproin (CAS 5449-98-9), with molecular formula C9H18O4 and molecular weight 190.12 g/mol. IUPAC: 2,3-dihydroxypropyl hexanoate.
Chemical Property Profile of Monocaproin
Property Insights of Monocaproin
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Monocaproin. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Monocaproin. Following Lipinski's Rule of Five, Monocaproin has 2 hydrogen bond donor(s) and 4 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 Monocaproin?
The CAS number of Monocaproin is 5449-98-9.
What is the molecular formula of Monocaproin?
The molecular formula of Monocaproin is C9H18O4.
What is the molecular weight of Monocaproin?
The molecular weight of Monocaproin is 190.12 g/mol.
Where can I buy Monocaproin?
You can request a quote for Monocaproin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Monocaproin?
Yes, KEHONG BIO provides custom synthesis services for Monocaproin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.