Di-sec-butyl succinate
TL;DR: Di-sec-butyl succinate (CAS 626-31-3) is a chemical compound with molecular formula C12H22O4 and molecular weight 230.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutan-2-yl butanedioate
Also Known As: Di-sec-butyl succinate, dibutan-2-yl butanedioate, di-s-butyl-succinate, Di-sec-butylsuccinate, Butanedioicacidbis ester
| Molecular Formula | C12H22O4 |
|---|---|
| Molecular Weight | 230.15 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 230.15181 |
| Heavy Atoms | 16 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 626-31-3 |
|---|---|
| SMILES | CCC(C)OC(=O)CCC(=O)OC(C)CC |
| InChIKey | PJZURRKQOJYGAU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Di-sec-butyl succinate (CAS 626-31-3), with molecular formula C12H22O4 and molecular weight 230.15 g/mol. IUPAC: dibutan-2-yl butanedioate.
Chemical Property Profile of Di-sec-butyl succinate
Property Insights of Di-sec-butyl succinate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Di-sec-butyl succinate. With a topological polar surface area (TPSA) of 52.6 Ų, Di-sec-butyl succinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Di-sec-butyl succinate 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 Di-sec-butyl succinate?
The CAS number of Di-sec-butyl succinate is 626-31-3.
What is the molecular formula of Di-sec-butyl succinate?
The molecular formula of Di-sec-butyl succinate is C12H22O4.
What is the molecular weight of Di-sec-butyl succinate?
The molecular weight of Di-sec-butyl succinate is 230.15 g/mol.
Where can I buy Di-sec-butyl succinate?
You can request a quote for Di-sec-butyl succinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Di-sec-butyl succinate?
Yes, KEHONG BIO provides custom synthesis services for Di-sec-butyl succinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.