(2-Hydroxy-3-methoxypropyl) heptanoate
TL;DR: (2-Hydroxy-3-methoxypropyl) heptanoate (CAS 6325-31-1) is a chemical compound with molecular formula C11H22O4 and molecular weight 218.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-hydroxy-3-methoxypropyl) heptanoate
Also Known As: (2-hydroxy-3-methoxypropyl) heptanoate, 2-hydroxy-3-methoxypropyl heptanoate, Heptanoic acid,2-hydroxy-3-methoxypropyl ester
| Molecular Formula | C11H22O4 |
|---|---|
| Molecular Weight | 218.15 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 218.15181 |
| Heavy Atoms | 15 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 6325-31-1 |
|---|---|
| SMILES | CCCCCCC(=O)OCC(COC)O |
| InChIKey | LXTTUSOSPKPSAG-UHFFFAOYSA-N |
Product Overview
(2-Hydroxy-3-methoxypropyl) heptanoate (CAS 6325-31-1), with molecular formula C11H22O4 and molecular weight 218.15 g/mol. IUPAC: (2-hydroxy-3-methoxypropyl) heptanoate.
Chemical Property Profile of (2-Hydroxy-3-methoxypropyl) heptanoate
Property Insights of (2-Hydroxy-3-methoxypropyl) heptanoate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Hydroxy-3-methoxypropyl) heptanoate. With a topological polar surface area (TPSA) of 55.8 Ų, (2-Hydroxy-3-methoxypropyl) heptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Hydroxy-3-methoxypropyl) heptanoate has 1 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 (2-Hydroxy-3-methoxypropyl) heptanoate?
The CAS number of (2-Hydroxy-3-methoxypropyl) heptanoate is 6325-31-1.
What is the molecular formula of (2-Hydroxy-3-methoxypropyl) heptanoate?
The molecular formula of (2-Hydroxy-3-methoxypropyl) heptanoate is C11H22O4.
What is the molecular weight of (2-Hydroxy-3-methoxypropyl) heptanoate?
The molecular weight of (2-Hydroxy-3-methoxypropyl) heptanoate is 218.15 g/mol.
Where can I buy (2-Hydroxy-3-methoxypropyl) heptanoate?
You can request a quote for (2-Hydroxy-3-methoxypropyl) heptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Hydroxy-3-methoxypropyl) heptanoate?
Yes, KEHONG BIO provides custom synthesis services for (2-Hydroxy-3-methoxypropyl) heptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.