Methyl 3-(hexyloxy)propanoate
TL;DR: Methyl 3-(hexyloxy)propanoate (CAS 7500-45-0) is a chemical compound with molecular formula C10H20O3 and molecular weight 188.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-hexoxypropanoate
Also Known As: methyl 3-hexoxypropanoate, methyl 3-(hexyloxy)propanoate, NCIOpen2_000357, 3-hexyloxy-propionic acid methyl ester, 3-Hexyloxypropionic acid methyl ester
| Molecular Formula | C10H20O3 |
|---|---|
| Molecular Weight | 188.14 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 188.14125 |
| Heavy Atoms | 13 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 7500-45-0 |
|---|---|
| SMILES | CCCCCCOCCC(=O)OC |
| InChIKey | JKGNYUOLVIUBHL-UHFFFAOYSA-N |
Product Overview
Methyl 3-(hexyloxy)propanoate (CAS 7500-45-0), with molecular formula C10H20O3 and molecular weight 188.14 g/mol. IUPAC: methyl 3-hexoxypropanoate.
Chemical Property Profile of Methyl 3-(hexyloxy)propanoate
Property Insights of Methyl 3-(hexyloxy)propanoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(hexyloxy)propanoate. With a topological polar surface area (TPSA) of 35.5 Ų, Methyl 3-(hexyloxy)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(hexyloxy)propanoate has 0 hydrogen bond donor(s) and 3 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 Methyl 3-(hexyloxy)propanoate?
The CAS number of Methyl 3-(hexyloxy)propanoate is 7500-45-0.
What is the molecular formula of Methyl 3-(hexyloxy)propanoate?
The molecular formula of Methyl 3-(hexyloxy)propanoate is C10H20O3.
What is the molecular weight of Methyl 3-(hexyloxy)propanoate?
The molecular weight of Methyl 3-(hexyloxy)propanoate is 188.14 g/mol.
Where can I buy Methyl 3-(hexyloxy)propanoate?
You can request a quote for Methyl 3-(hexyloxy)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(hexyloxy)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(hexyloxy)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.