Dimethyl isopropylidenesuccinate
TL;DR: Dimethyl isopropylidenesuccinate (CAS 6934-75-4) is a chemical compound with molecular formula C9H14O4 and molecular weight 186.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-propan-2-ylidenebutanedioate
Also Known As: DIMETHYL ISOPROPYLIDENESUCCINATE, methyl teraconate, Dimethyl isopropylidene succinate, dimethyl 2-(propan-2-ylidene)succinate, dimethyl 2-isopropylidenebutanedioate
| Molecular Formula | C9H14O4 |
|---|---|
| Molecular Weight | 186.09 g/mol |
| LogP | 1.0589 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 186.0892 |
| Heavy Atoms | 13 |
| Complexity | 235.99925 |
Chemical Identifiers
| CAS Number | 6934-75-4 |
|---|---|
| SMILES | CC(=C(CC(=O)OC)C(=O)OC)C |
Product Overview
Dimethyl isopropylidenesuccinate (CAS 6934-75-4), with molecular formula C9H14O4 and molecular weight 186.09 g/mol. IUPAC: dimethyl 2-propan-2-ylidenebutanedioate.
Chemical Property Profile of Dimethyl isopropylidenesuccinate
Property Insights of Dimethyl isopropylidenesuccinate
The XLogP value of 1.0589 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl isopropylidenesuccinate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl isopropylidenesuccinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl isopropylidenesuccinate 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 Dimethyl isopropylidenesuccinate?
The CAS number of Dimethyl isopropylidenesuccinate is 6934-75-4.
What is the molecular formula of Dimethyl isopropylidenesuccinate?
The molecular formula of Dimethyl isopropylidenesuccinate is C9H14O4.
What is the molecular weight of Dimethyl isopropylidenesuccinate?
The molecular weight of Dimethyl isopropylidenesuccinate is 186.09 g/mol.
Where can I buy Dimethyl isopropylidenesuccinate?
You can request a quote for Dimethyl isopropylidenesuccinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl isopropylidenesuccinate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl isopropylidenesuccinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.