Dibutyl cyclopropane-1,1-dicarboxylate
TL;DR: Dibutyl cyclopropane-1,1-dicarboxylate (CAS 162654-66-2) is a chemical compound with molecular formula C13H22O4 and molecular weight 242.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutyl cyclopropane-1,1-dicarboxylate
Also Known As: dibutyl cyclopropane-1,1-dicarboxylate, 1,1-dibutyl cyclopropane-1,1-dicarboxylate, J2.485.222I, Cyclopropane-1,1-dicarboxylic acid dibutyl ester
| Molecular Formula | C13H22O4 |
|---|---|
| Molecular Weight | 242.15 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 242.15181 |
| Heavy Atoms | 17 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 162654-66-2 |
|---|---|
| SMILES | CCCCOC(=O)C1(CC1)C(=O)OCCCC |
| InChIKey | SVUZBUMRBIQZKD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibutyl cyclopropane-1,1-dicarboxylate (CAS 162654-66-2), with molecular formula C13H22O4 and molecular weight 242.15 g/mol. IUPAC: dibutyl cyclopropane-1,1-dicarboxylate.
Chemical Property Profile of Dibutyl cyclopropane-1,1-dicarboxylate
Property Insights of Dibutyl cyclopropane-1,1-dicarboxylate
The XLogP value of 3.0 indicates that Dibutyl cyclopropane-1,1-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Dibutyl cyclopropane-1,1-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibutyl cyclopropane-1,1-dicarboxylate has 0 hydrogen bond donor(s) and 4 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 cyclopropane-1,1-dicarboxylate?
The CAS number of Dibutyl cyclopropane-1,1-dicarboxylate is 162654-66-2.
What is the molecular formula of Dibutyl cyclopropane-1,1-dicarboxylate?
The molecular formula of Dibutyl cyclopropane-1,1-dicarboxylate is C13H22O4.
What is the molecular weight of Dibutyl cyclopropane-1,1-dicarboxylate?
The molecular weight of Dibutyl cyclopropane-1,1-dicarboxylate is 242.15 g/mol.
Where can I buy Dibutyl cyclopropane-1,1-dicarboxylate?
You can request a quote for Dibutyl cyclopropane-1,1-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibutyl cyclopropane-1,1-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dibutyl cyclopropane-1,1-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.