1-Dodecyl butanedioate
TL;DR: 1-Dodecyl butanedioate (CAS 21668-03-1) is a chemical compound with molecular formula C16H30O4 and molecular weight 286.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-dodecoxy-4-oxobutanoic acid
Also Known As: Monolauryl succinate, Monododecyl succinate, 1-Dodecyl butanedioate, mono-dodecyl succinate, 4-(dodecyloxy)-4-oxobutanoic acid
| Molecular Formula | C16H30O4 |
|---|---|
| Molecular Weight | 286.21 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 286.21442 |
| Heavy Atoms | 20 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 21668-03-1 |
|---|---|
| SMILES | CCCCCCCCCCCCOC(=O)CCC(=O)O |
| InChIKey | LWYAUHJRUCQFCX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Dodecyl butanedioate (CAS 21668-03-1), with molecular formula C16H30O4 and molecular weight 286.21 g/mol. IUPAC: 4-dodecoxy-4-oxobutanoic acid.
Chemical Property Profile of 1-Dodecyl butanedioate
Property Insights of 1-Dodecyl butanedioate
The XLogP value of 5.0 indicates that 1-Dodecyl butanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Dodecyl butanedioate. Following Lipinski's Rule of Five, 1-Dodecyl butanedioate has 1 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-Dodecyl butanedioate?
The CAS number of 1-Dodecyl butanedioate is 21668-03-1.
What is the molecular formula of 1-Dodecyl butanedioate?
The molecular formula of 1-Dodecyl butanedioate is C16H30O4.
What is the molecular weight of 1-Dodecyl butanedioate?
The molecular weight of 1-Dodecyl butanedioate is 286.21 g/mol.
Where can I buy 1-Dodecyl butanedioate?
You can request a quote for 1-Dodecyl butanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Dodecyl butanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1-Dodecyl butanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.