Dipropyl 2-methylidenebutanedioate
TL;DR: Dipropyl 2-methylidenebutanedioate (CAS 155656-95-4) is a chemical compound with molecular formula C11H18O4 and molecular weight 214.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipropyl 2-methylidenebutanedioate
Also Known As: dipropyl itaconate, dipropyl 2-methylidenebutanedioate, di-n-propyl itaconate, Itaconsaeuredipropylester, Itaconic acid dipropyl ester
| Molecular Formula | C11H18O4 |
|---|---|
| Molecular Weight | 214.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 214.12051 |
| Heavy Atoms | 15 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 155656-95-4 |
|---|---|
| SMILES | CCCOC(=O)CC(=C)C(=O)OCCC |
| InChIKey | DFQSWFGKYUFIFW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dipropyl 2-methylidenebutanedioate (CAS 155656-95-4), with molecular formula C11H18O4 and molecular weight 214.12 g/mol. IUPAC: dipropyl 2-methylidenebutanedioate.
Chemical Property Profile of Dipropyl 2-methylidenebutanedioate
Property Insights of Dipropyl 2-methylidenebutanedioate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dipropyl 2-methylidenebutanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Dipropyl 2-methylidenebutanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dipropyl 2-methylidenebutanedioate 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 Dipropyl 2-methylidenebutanedioate?
The CAS number of Dipropyl 2-methylidenebutanedioate is 155656-95-4.
What is the molecular formula of Dipropyl 2-methylidenebutanedioate?
The molecular formula of Dipropyl 2-methylidenebutanedioate is C11H18O4.
What is the molecular weight of Dipropyl 2-methylidenebutanedioate?
The molecular weight of Dipropyl 2-methylidenebutanedioate is 214.12 g/mol.
Where can I buy Dipropyl 2-methylidenebutanedioate?
You can request a quote for Dipropyl 2-methylidenebutanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dipropyl 2-methylidenebutanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dipropyl 2-methylidenebutanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.