2-Butenedioic acid (2Z)-, isodecyl ester
TL;DR: 2-Butenedioic acid (2Z)-, isodecyl ester (CAS 68186-70-9) is a chemical compound with molecular formula C14H24O4 and molecular weight 256.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(8-methylnonoxy)-4-oxobut-2-enoic acid
Also Known As: 2-Butenedioic acid (2Z)-, isodecyl ester, 2-Butenedioic acid (Z)-, isodecyl ester, 2-Butenedioic acid (Z) -, isodecyl ester, 4-(8-methylnonoxy)-4-oxobut-2-enoic acid, Isodecyl alcohol, maleic anhydride reaction product
| Molecular Formula | C14H24O4 |
|---|---|
| Molecular Weight | 256.17 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 256.16745 |
| Heavy Atoms | 18 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 68186-70-9 |
|---|---|
| SMILES | CC(C)CCCCCCCOC(=O)C=CC(=O)O |
| InChIKey | IOERSEDKYYZDFT-UHFFFAOYSA-N |
Product Overview
2-Butenedioic acid (2Z)-, isodecyl ester (CAS 68186-70-9), with molecular formula C14H24O4 and molecular weight 256.17 g/mol. IUPAC: 4-(8-methylnonoxy)-4-oxobut-2-enoic acid.
Chemical Property Profile of 2-Butenedioic acid (2Z)-, isodecyl ester
Property Insights of 2-Butenedioic acid (2Z)-, isodecyl ester
The XLogP value of 4.1 indicates that 2-Butenedioic acid (2Z)-, isodecyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butenedioic acid (2Z)-, isodecyl ester. Following Lipinski's Rule of Five, 2-Butenedioic acid (2Z)-, isodecyl ester has 1 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)-, isodecyl ester?
The CAS number of 2-Butenedioic acid (2Z)-, isodecyl ester is 68186-70-9.
What is the molecular formula of 2-Butenedioic acid (2Z)-, isodecyl ester?
The molecular formula of 2-Butenedioic acid (2Z)-, isodecyl ester is C14H24O4.
What is the molecular weight of 2-Butenedioic acid (2Z)-, isodecyl ester?
The molecular weight of 2-Butenedioic acid (2Z)-, isodecyl ester is 256.17 g/mol.
Where can I buy 2-Butenedioic acid (2Z)-, isodecyl ester?
You can request a quote for 2-Butenedioic acid (2Z)-, isodecyl 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)-, isodecyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenedioic acid (2Z)-, isodecyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.