1,3-Dibutyl 1,3-cyclopentanedicarboxylate
TL;DR: 1,3-Dibutyl 1,3-cyclopentanedicarboxylate (CAS 4056-77-3) is a chemical compound with molecular formula C15H26O4 and molecular weight 270.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutyl cyclopentane-1,3-dicarboxylate
Also Known As: Dibutyl norcamphorate, DIBUTYLNORCAMPHORATE, dibutyl cyclopentane-1,3-dicarboxylate, 1,3-Cyclopentanedicarboxylic acid, dibutyl ester, 1,3-Dibutyl 1,3-cyclopentanedicarboxylate
| Molecular Formula | C15H26O4 |
|---|---|
| Molecular Weight | 270.18 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 270.1831 |
| Heavy Atoms | 19 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 4056-77-3 |
|---|---|
| SMILES | CCCCOC(=O)C1CCC(C1)C(=O)OCCCC |
| InChIKey | SQXYSKZWZUMGMF-UHFFFAOYSA-N |
Product Overview
1,3-Dibutyl 1,3-cyclopentanedicarboxylate (CAS 4056-77-3), with molecular formula C15H26O4 and molecular weight 270.18 g/mol. IUPAC: dibutyl cyclopentane-1,3-dicarboxylate.
Chemical Property Profile of 1,3-Dibutyl 1,3-cyclopentanedicarboxylate
Property Insights of 1,3-Dibutyl 1,3-cyclopentanedicarboxylate
The XLogP value of 3.3 indicates that 1,3-Dibutyl 1,3-cyclopentanedicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1,3-Dibutyl 1,3-cyclopentanedicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dibutyl 1,3-cyclopentanedicarboxylate 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 1,3-Dibutyl 1,3-cyclopentanedicarboxylate?
The CAS number of 1,3-Dibutyl 1,3-cyclopentanedicarboxylate is 4056-77-3.
What is the molecular formula of 1,3-Dibutyl 1,3-cyclopentanedicarboxylate?
The molecular formula of 1,3-Dibutyl 1,3-cyclopentanedicarboxylate is C15H26O4.
What is the molecular weight of 1,3-Dibutyl 1,3-cyclopentanedicarboxylate?
The molecular weight of 1,3-Dibutyl 1,3-cyclopentanedicarboxylate is 270.18 g/mol.
Where can I buy 1,3-Dibutyl 1,3-cyclopentanedicarboxylate?
You can request a quote for 1,3-Dibutyl 1,3-cyclopentanedicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dibutyl 1,3-cyclopentanedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dibutyl 1,3-cyclopentanedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.