Butanedioic acid, 2-methylene-, 1,4-bis(2-hydroxypropyl) ester
TL;DR: Butanedioic acid, 2-methylene-, 1,4-bis(2-hydroxypropyl) ester (CAS 13824-30-1) is a chemical compound with molecular formula C11H18O6 and molecular weight 246.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-hydroxypropyl) 2-methylidenebutanedioate
Also Known As: Bis(2-hydroxypropyl) methylenesuccinate, Di-2-hydroxypropyl itaconate, Dimeres Phosphorsaeure-anilid-anil, bis(2-hydroxypropyl) 2-methylenesuccinate, bis(2-hydroxypropyl) 2-methylidenebutanedioate
| Molecular Formula | C11H18O6 |
|---|---|
| Molecular Weight | 246.11 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 246.11034 |
| Heavy Atoms | 17 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 13824-30-1 |
|---|---|
| SMILES | CC(COC(=O)CC(=C)C(=O)OCC(C)O)O |
| InChIKey | QOLRMRIVONNWSS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanedioic acid, 2-methylene-, 1,4-bis(2-hydroxypropyl) ester (CAS 13824-30-1), with molecular formula C11H18O6 and molecular weight 246.11 g/mol. IUPAC: bis(2-hydroxypropyl) 2-methylidenebutanedioate.
Chemical Property Profile of Butanedioic acid, 2-methylene-, 1,4-bis(2-hydroxypropyl) ester
Property Insights of Butanedioic acid, 2-methylene-, 1,4-bis(2-hydroxypropyl) ester
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanedioic acid, 2-methylene-, 1,4-bis(2-hydroxypropyl) ester. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanedioic acid, 2-methylene-, 1,4-bis(2-hydroxypropyl) ester. Following Lipinski's Rule of Five, Butanedioic acid, 2-methylene-, 1,4-bis(2-hydroxypropyl) ester has 2 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 Butanedioic acid, 2-methylene-, 1,4-bis(2-hydroxypropyl) ester?
The CAS number of Butanedioic acid, 2-methylene-, 1,4-bis(2-hydroxypropyl) ester is 13824-30-1.
What is the molecular formula of Butanedioic acid, 2-methylene-, 1,4-bis(2-hydroxypropyl) ester?
The molecular formula of Butanedioic acid, 2-methylene-, 1,4-bis(2-hydroxypropyl) ester is C11H18O6.
What is the molecular weight of Butanedioic acid, 2-methylene-, 1,4-bis(2-hydroxypropyl) ester?
The molecular weight of Butanedioic acid, 2-methylene-, 1,4-bis(2-hydroxypropyl) ester is 246.11 g/mol.
Where can I buy Butanedioic acid, 2-methylene-, 1,4-bis(2-hydroxypropyl) ester?
You can request a quote for Butanedioic acid, 2-methylene-, 1,4-bis(2-hydroxypropyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanedioic acid, 2-methylene-, 1,4-bis(2-hydroxypropyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, 2-methylene-, 1,4-bis(2-hydroxypropyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.