Dibutyl 3,3'-sulfonyldipropanoate
TL;DR: Dibutyl 3,3'-sulfonyldipropanoate (CAS 6280-20-2) is a chemical compound with molecular formula C14H26O6S and molecular weight 322.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 3-(3-butoxy-3-oxopropyl)sulfonylpropanoate
Also Known As: dibutyl 3,3'-sulfonyldipropanoate, butyl 3-(3-butoxy-3-oxopropyl)sulfonylpropanoate, Dibutyl 3,3 -sulfonyldipropionate, J1.393.601C, 3,3 -Sulfonylbispropionic acid dibutyl ester
| Molecular Formula | C14H26O6S |
|---|---|
| Molecular Weight | 322.15 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 95.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 322.14502 |
| Heavy Atoms | 21 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 6280-20-2 |
|---|---|
| SMILES | CCCCOC(=O)CCS(=O)(=O)CCC(=O)OCCCC |
| InChIKey | VUUQFLLRJFDANW-UHFFFAOYSA-N |
Product Overview
Dibutyl 3,3'-sulfonyldipropanoate (CAS 6280-20-2), with molecular formula C14H26O6S and molecular weight 322.15 g/mol. IUPAC: butyl 3-(3-butoxy-3-oxopropyl)sulfonylpropanoate.
Chemical Property Profile of Dibutyl 3,3'-sulfonyldipropanoate
Property Insights of Dibutyl 3,3'-sulfonyldipropanoate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dibutyl 3,3'-sulfonyldipropanoate. The TPSA of 95.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Dibutyl 3,3'-sulfonyldipropanoate. Following Lipinski's Rule of Five, Dibutyl 3,3'-sulfonyldipropanoate 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 Dibutyl 3,3'-sulfonyldipropanoate?
The CAS number of Dibutyl 3,3'-sulfonyldipropanoate is 6280-20-2.
What is the molecular formula of Dibutyl 3,3'-sulfonyldipropanoate?
The molecular formula of Dibutyl 3,3'-sulfonyldipropanoate is C14H26O6S.
What is the molecular weight of Dibutyl 3,3'-sulfonyldipropanoate?
The molecular weight of Dibutyl 3,3'-sulfonyldipropanoate is 322.15 g/mol.
Where can I buy Dibutyl 3,3'-sulfonyldipropanoate?
You can request a quote for Dibutyl 3,3'-sulfonyldipropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibutyl 3,3'-sulfonyldipropanoate?
Yes, KEHONG BIO provides custom synthesis services for Dibutyl 3,3'-sulfonyldipropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.