Methyl-4-butoxybutyrate
TL;DR: Methyl-4-butoxybutyrate (CAS 29006-06-2) 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.
methyl 4-butoxybutanoate
Also Known As: Methyl-4-butoxybutyrate, Methyl 4-butoxybutanoate, Methyl 4-butoxybutanoate #, METHYL 4-BUTOXYBUTYRATE, 4-Butoxybutyric acid methyl ester
| Molecular Formula | C9H18O3 |
|---|---|
| Molecular Weight | 174.13 g/mol |
| LogP | 1.5 |
| 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 | 29006-06-2 |
|---|---|
| SMILES | CCCCOCCCC(=O)OC |
| InChIKey | GBYWGUUHMOIUIJ-UHFFFAOYSA-N |
Product Overview
Methyl-4-butoxybutyrate (CAS 29006-06-2), with molecular formula C9H18O3 and molecular weight 174.13 g/mol. IUPAC: methyl 4-butoxybutanoate.
Chemical Property Profile of Methyl-4-butoxybutyrate
Property Insights of Methyl-4-butoxybutyrate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl-4-butoxybutyrate. With a topological polar surface area (TPSA) of 35.5 Ų, Methyl-4-butoxybutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl-4-butoxybutyrate 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-4-butoxybutyrate?
The CAS number of Methyl-4-butoxybutyrate is 29006-06-2.
What is the molecular formula of Methyl-4-butoxybutyrate?
The molecular formula of Methyl-4-butoxybutyrate is C9H18O3.
What is the molecular weight of Methyl-4-butoxybutyrate?
The molecular weight of Methyl-4-butoxybutyrate is 174.13 g/mol.
Where can I buy Methyl-4-butoxybutyrate?
You can request a quote for Methyl-4-butoxybutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl-4-butoxybutyrate?
Yes, KEHONG BIO provides custom synthesis services for Methyl-4-butoxybutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.