3-Methoxybutyl pentanoate
TL;DR: 3-Methoxybutyl pentanoate (CAS 6311-96-2) 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.
3-methoxybutyl pentanoate
Also Known As: 3-methoxybutyl pentanoate, 3-phenyl-1-propyl pentanoate, RefChem:280504
| Molecular Formula | C10H20O3 |
|---|---|
| Molecular Weight | 188.14 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 188.14125 |
| Heavy Atoms | 13 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 6311-96-2 |
|---|---|
| SMILES | CCCCC(=O)OCCC(C)OC |
| InChIKey | GAYOORNFVBPOLM-UHFFFAOYSA-N |
Product Overview
3-Methoxybutyl pentanoate (CAS 6311-96-2), with molecular formula C10H20O3 and molecular weight 188.14 g/mol. IUPAC: 3-methoxybutyl pentanoate.
Chemical Property Profile of 3-Methoxybutyl pentanoate
Property Insights of 3-Methoxybutyl pentanoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxybutyl pentanoate. With a topological polar surface area (TPSA) of 35.5 Ų, 3-Methoxybutyl pentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxybutyl pentanoate 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 3-Methoxybutyl pentanoate?
The CAS number of 3-Methoxybutyl pentanoate is 6311-96-2.
What is the molecular formula of 3-Methoxybutyl pentanoate?
The molecular formula of 3-Methoxybutyl pentanoate is C10H20O3.
What is the molecular weight of 3-Methoxybutyl pentanoate?
The molecular weight of 3-Methoxybutyl pentanoate is 188.14 g/mol.
Where can I buy 3-Methoxybutyl pentanoate?
You can request a quote for 3-Methoxybutyl pentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxybutyl pentanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxybutyl pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.