Dimethyl 4-propan-2-ylideneheptanedioate
TL;DR: Dimethyl 4-propan-2-ylideneheptanedioate (CAS 17059-44-8) is a chemical compound with molecular formula C12H20O4 and molecular weight 228.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 4-propan-2-ylideneheptanedioate
Also Known As: dimethyl 4-propan-2-ylideneheptanedioate, dimethyl 4-(propan-2-ylidene)heptanedioate, Heptanedioic acid,4-(1-methylethylidene)-, 1,7-dimethyl ester, 2-(1,5-Dimethyl-hex-4-enyl)-3,6-dihydroxy-5-methyl-[1,4]benzoquinone
| Molecular Formula | C12H20O4 |
|---|---|
| Molecular Weight | 228.14 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 228.13615 |
| Heavy Atoms | 16 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 17059-44-8 |
|---|---|
| SMILES | CC(=C(CCC(=O)OC)CCC(=O)OC)C |
| InChIKey | ZNTIVTXIKHJMLD-UHFFFAOYSA-N |
Product Overview
Dimethyl 4-propan-2-ylideneheptanedioate (CAS 17059-44-8), with molecular formula C12H20O4 and molecular weight 228.14 g/mol. IUPAC: dimethyl 4-propan-2-ylideneheptanedioate.
Chemical Property Profile of Dimethyl 4-propan-2-ylideneheptanedioate
Property Insights of Dimethyl 4-propan-2-ylideneheptanedioate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 4-propan-2-ylideneheptanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 4-propan-2-ylideneheptanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 4-propan-2-ylideneheptanedioate 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 4-propan-2-ylideneheptanedioate?
The CAS number of Dimethyl 4-propan-2-ylideneheptanedioate is 17059-44-8.
What is the molecular formula of Dimethyl 4-propan-2-ylideneheptanedioate?
The molecular formula of Dimethyl 4-propan-2-ylideneheptanedioate is C12H20O4.
What is the molecular weight of Dimethyl 4-propan-2-ylideneheptanedioate?
The molecular weight of Dimethyl 4-propan-2-ylideneheptanedioate is 228.14 g/mol.
Where can I buy Dimethyl 4-propan-2-ylideneheptanedioate?
You can request a quote for Dimethyl 4-propan-2-ylideneheptanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 4-propan-2-ylideneheptanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 4-propan-2-ylideneheptanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.