1-Butoxy-1-oxopropan-2-yl butyl hexanedioate
TL;DR: 1-Butoxy-1-oxopropan-2-yl butyl hexanedioate (CAS 59870-43-8) is a chemical compound with molecular formula C17H30O6 and molecular weight 330.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-O-(1-butoxy-1-oxopropan-2-yl) 1-O-butyl hexanedioate
Also Known As: 1-butoxy-1-oxopropan-2-yl butyl hexanedioate, 6-O-(1-butoxy-1-oxopropan-2-yl) 1-O-butyl hexanedioate, HEXANDIOIC ACID, ESTER WITH BUTYL LACTATE, hexanedioic acid 1-butoxycarbonyl-ethyl ester butyl ester, RefChem:228984
| Molecular Formula | C17H30O6 |
|---|---|
| Molecular Weight | 330.20 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 330.20422 |
| Heavy Atoms | 23 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 59870-43-8 |
|---|---|
| SMILES | CCCCOC(=O)CCCCC(=O)OC(C)C(=O)OCCCC |
| InChIKey | MQCQQDIHJRCDAL-UHFFFAOYSA-N |
Product Overview
1-Butoxy-1-oxopropan-2-yl butyl hexanedioate (CAS 59870-43-8), with molecular formula C17H30O6 and molecular weight 330.20 g/mol. IUPAC: 6-O-(1-butoxy-1-oxopropan-2-yl) 1-O-butyl hexanedioate.
Chemical Property Profile of 1-Butoxy-1-oxopropan-2-yl butyl hexanedioate
Property Insights of 1-Butoxy-1-oxopropan-2-yl butyl hexanedioate
The XLogP value of 3.4 indicates that 1-Butoxy-1-oxopropan-2-yl butyl hexanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Butoxy-1-oxopropan-2-yl butyl hexanedioate. Following Lipinski's Rule of Five, 1-Butoxy-1-oxopropan-2-yl butyl hexanedioate has 0 hydrogen bond donor(s) and 6 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 1-Butoxy-1-oxopropan-2-yl butyl hexanedioate?
The CAS number of 1-Butoxy-1-oxopropan-2-yl butyl hexanedioate is 59870-43-8.
What is the molecular formula of 1-Butoxy-1-oxopropan-2-yl butyl hexanedioate?
The molecular formula of 1-Butoxy-1-oxopropan-2-yl butyl hexanedioate is C17H30O6.
What is the molecular weight of 1-Butoxy-1-oxopropan-2-yl butyl hexanedioate?
The molecular weight of 1-Butoxy-1-oxopropan-2-yl butyl hexanedioate is 330.20 g/mol.
Where can I buy 1-Butoxy-1-oxopropan-2-yl butyl hexanedioate?
You can request a quote for 1-Butoxy-1-oxopropan-2-yl butyl hexanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butoxy-1-oxopropan-2-yl butyl hexanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1-Butoxy-1-oxopropan-2-yl butyl hexanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.