Pentyl 3-methoxypropanoate
TL;DR: Pentyl 3-methoxypropanoate (CAS 10500-16-0) is a chemical compound with molecular formula C9H18O3 and molecular weight 174.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 3-methoxypropanoate
Also Known As: pentyl 3-methoxypropanoate, 3-Methoxypropionic acid pentyl ester, 3-methoxy-propanoic acid pentyl ester, 3-methoxy-propionic acid pentyl ester
| Molecular Formula | C9H18O3 |
|---|---|
| Molecular Weight | 174.13 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 174.1256 |
| Heavy Atoms | 12 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 10500-16-0 |
|---|---|
| SMILES | CCCCCOC(=O)CCOC |
| InChIKey | UQEZFXKMGDYGLZ-UHFFFAOYSA-N |
Product Overview
Pentyl 3-methoxypropanoate (CAS 10500-16-0), with molecular formula C9H18O3 and molecular weight 174.13 g/mol. IUPAC: pentyl 3-methoxypropanoate.
Chemical Property Profile of Pentyl 3-methoxypropanoate
Property Insights of Pentyl 3-methoxypropanoate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentyl 3-methoxypropanoate. With a topological polar surface area (TPSA) of 35.5 Ų, Pentyl 3-methoxypropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentyl 3-methoxypropanoate 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 Pentyl 3-methoxypropanoate?
The CAS number of Pentyl 3-methoxypropanoate is 10500-16-0.
What is the molecular formula of Pentyl 3-methoxypropanoate?
The molecular formula of Pentyl 3-methoxypropanoate is C9H18O3.
What is the molecular weight of Pentyl 3-methoxypropanoate?
The molecular weight of Pentyl 3-methoxypropanoate is 174.13 g/mol.
Where can I buy Pentyl 3-methoxypropanoate?
You can request a quote for Pentyl 3-methoxypropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentyl 3-methoxypropanoate?
Yes, KEHONG BIO provides custom synthesis services for Pentyl 3-methoxypropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.