2-Butenedioic acid (2Z)-, cyclohexyl 2-methylpropyl ester
TL;DR: 2-Butenedioic acid (2Z)-, cyclohexyl 2-methylpropyl ester (CAS 68109-99-9) is a chemical compound with molecular formula C14H22O4 and molecular weight 254.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-cyclohexyl 1-O-(2-methylpropyl) but-2-enedioate
Also Known As: Cyclohexyl isobutyl maleate, Cyclohexyl 2-methylpropyl maleate, 2-Butenedioic acid (2Z)-, cyclohexyl 2-methylpropyl ester, 2-Butenedioic acid (Z)-, cyclohexyl 2-methylpropyl ester, 2-Butenedioic acid (2Z)-, 1-cyclohexyl 4-(2-methylpropyl) ester
| Molecular Formula | C14H22O4 |
|---|---|
| Molecular Weight | 254.15 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 254.15181 |
| Heavy Atoms | 18 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 68109-99-9 |
|---|---|
| SMILES | CC(C)COC(=O)C=CC(=O)OC1CCCCC1 |
| InChIKey | CNKATKALHSIDQP-UHFFFAOYSA-N |
Product Overview
2-Butenedioic acid (2Z)-, cyclohexyl 2-methylpropyl ester (CAS 68109-99-9), with molecular formula C14H22O4 and molecular weight 254.15 g/mol. IUPAC: 4-O-cyclohexyl 1-O-(2-methylpropyl) but-2-enedioate.
Chemical Property Profile of 2-Butenedioic acid (2Z)-, cyclohexyl 2-methylpropyl ester
Property Insights of 2-Butenedioic acid (2Z)-, cyclohexyl 2-methylpropyl ester
The XLogP value of 3.4 indicates that 2-Butenedioic acid (2Z)-, cyclohexyl 2-methylpropyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2-Butenedioic acid (2Z)-, cyclohexyl 2-methylpropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenedioic acid (2Z)-, cyclohexyl 2-methylpropyl ester 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-Butenedioic acid (2Z)-, cyclohexyl 2-methylpropyl ester?
The CAS number of 2-Butenedioic acid (2Z)-, cyclohexyl 2-methylpropyl ester is 68109-99-9.
What is the molecular formula of 2-Butenedioic acid (2Z)-, cyclohexyl 2-methylpropyl ester?
The molecular formula of 2-Butenedioic acid (2Z)-, cyclohexyl 2-methylpropyl ester is C14H22O4.
What is the molecular weight of 2-Butenedioic acid (2Z)-, cyclohexyl 2-methylpropyl ester?
The molecular weight of 2-Butenedioic acid (2Z)-, cyclohexyl 2-methylpropyl ester is 254.15 g/mol.
Where can I buy 2-Butenedioic acid (2Z)-, cyclohexyl 2-methylpropyl ester?
You can request a quote for 2-Butenedioic acid (2Z)-, cyclohexyl 2-methylpropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenedioic acid (2Z)-, cyclohexyl 2-methylpropyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenedioic acid (2Z)-, cyclohexyl 2-methylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.