2-Heptenedioic acid, 4-cyclopropyl-, dimethyl ester, (E)-
TL;DR: 2-Heptenedioic acid, 4-cyclopropyl-, dimethyl ester, (E)- (CAS 74793-21-8) is a chemical compound with molecular formula C12H18O4 and molecular weight 226.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl (E)-4-cyclopropylhept-2-enedioate
Also Known As: dimethyl (E)-4-cyclopropylhept-2-enedioate, -4-Cyclopropyl-2-heptenedioicaciddimethylester, Dimethyl (2E)-4-cyclopropyl-2-heptenedioate #, 1,7-dimethyl (2E)-4-cyclopropylhept-2-enedioate, (E)-4-Cyclopropyl-2-heptenedioic acid dimethyl ester
| Molecular Formula | C12H18O4 |
|---|---|
| Molecular Weight | 226.12 g/mol |
| LogP | 1.695 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 226.12051 |
| Heavy Atoms | 16 |
| Complexity | 278.74335 |
Chemical Identifiers
| CAS Number | 74793-21-8 |
|---|---|
| SMILES | COC(=O)CCC(/C=C/C(=O)OC)C1CC1 |
Product Overview
2-Heptenedioic acid, 4-cyclopropyl-, dimethyl ester, (E)- (CAS 74793-21-8), with molecular formula C12H18O4 and molecular weight 226.12 g/mol. IUPAC: dimethyl (E)-4-cyclopropylhept-2-enedioate.
Chemical Property Profile of 2-Heptenedioic acid, 4-cyclopropyl-, dimethyl ester, (E)-
Property Insights of 2-Heptenedioic acid, 4-cyclopropyl-, dimethyl ester, (E)-
The XLogP value of 1.695 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Heptenedioic acid, 4-cyclopropyl-, dimethyl ester, (E)-. With a topological polar surface area (TPSA) of 52.6 Ų, 2-Heptenedioic acid, 4-cyclopropyl-, dimethyl ester, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Heptenedioic acid, 4-cyclopropyl-, dimethyl ester, (E)- 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 2-Heptenedioic acid, 4-cyclopropyl-, dimethyl ester, (E)-?
The CAS number of 2-Heptenedioic acid, 4-cyclopropyl-, dimethyl ester, (E)- is 74793-21-8.
What is the molecular formula of 2-Heptenedioic acid, 4-cyclopropyl-, dimethyl ester, (E)-?
The molecular formula of 2-Heptenedioic acid, 4-cyclopropyl-, dimethyl ester, (E)- is C12H18O4.
What is the molecular weight of 2-Heptenedioic acid, 4-cyclopropyl-, dimethyl ester, (E)-?
The molecular weight of 2-Heptenedioic acid, 4-cyclopropyl-, dimethyl ester, (E)- is 226.12 g/mol.
Where can I buy 2-Heptenedioic acid, 4-cyclopropyl-, dimethyl ester, (E)-?
You can request a quote for 2-Heptenedioic acid, 4-cyclopropyl-, dimethyl 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-Heptenedioic acid, 4-cyclopropyl-, dimethyl ester, (E)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Heptenedioic acid, 4-cyclopropyl-, dimethyl ester, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.