2-Heptenoic acid, 4-cyclopropyl-5-methylene-, methyl ester, (E)-
TL;DR: 2-Heptenoic acid, 4-cyclopropyl-5-methylene-, methyl ester, (E)- (CAS 74793-23-0) is a chemical compound with molecular formula C12H18O2 and molecular weight 194.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-4-cyclopropyl-5-methylidenehept-2-enoate
Also Known As: -4-Cyclopropyl-5-methylene-2-heptenoicacidmethylester, Methyl (2E)-4-cyclopropyl-5-ethyl-2,5-hexadienoate, methyl (2E)-4-cyclopropyl-5-methylidenehept-2-enoate, methyl (E)-4-cyclopropyl-5-methylidenehept-2-enoate, Methyl (2E)-4-cyclopropyl-5-ethyl-2,5-hexadienoate #
| Molecular Formula | C12H18O2 |
|---|---|
| Molecular Weight | 194.13 g/mol |
| LogP | 2.708 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 194.13068 |
| Heavy Atoms | 14 |
| Complexity | 249.04735 |
Chemical Identifiers
| CAS Number | 74793-23-0 |
|---|---|
| SMILES | CCC(=C)C(/C=C/C(=O)OC)C1CC1 |
Product Overview
2-Heptenoic acid, 4-cyclopropyl-5-methylene-, methyl ester, (E)- (CAS 74793-23-0), with molecular formula C12H18O2 and molecular weight 194.13 g/mol. IUPAC: methyl (E)-4-cyclopropyl-5-methylidenehept-2-enoate.
Chemical Property Profile of 2-Heptenoic acid, 4-cyclopropyl-5-methylene-, methyl ester, (E)-
Property Insights of 2-Heptenoic acid, 4-cyclopropyl-5-methylene-, methyl ester, (E)-
The XLogP value of 2.708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Heptenoic acid, 4-cyclopropyl-5-methylene-, methyl ester, (E)-. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Heptenoic acid, 4-cyclopropyl-5-methylene-, methyl ester, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Heptenoic acid, 4-cyclopropyl-5-methylene-, methyl ester, (E)- has 0 hydrogen bond donor(s) and 2 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 2-Heptenoic acid, 4-cyclopropyl-5-methylene-, methyl ester, (E)-?
The CAS number of 2-Heptenoic acid, 4-cyclopropyl-5-methylene-, methyl ester, (E)- is 74793-23-0.
What is the molecular formula of 2-Heptenoic acid, 4-cyclopropyl-5-methylene-, methyl ester, (E)-?
The molecular formula of 2-Heptenoic acid, 4-cyclopropyl-5-methylene-, methyl ester, (E)- is C12H18O2.
What is the molecular weight of 2-Heptenoic acid, 4-cyclopropyl-5-methylene-, methyl ester, (E)-?
The molecular weight of 2-Heptenoic acid, 4-cyclopropyl-5-methylene-, methyl ester, (E)- is 194.13 g/mol.
Where can I buy 2-Heptenoic acid, 4-cyclopropyl-5-methylene-, methyl ester, (E)-?
You can request a quote for 2-Heptenoic acid, 4-cyclopropyl-5-methylene-, methyl ester, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Heptenoic acid, 4-cyclopropyl-5-methylene-, methyl ester, (E)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Heptenoic acid, 4-cyclopropyl-5-methylene-, methyl ester, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.