2-Butenedioic acid (2E)-, monohexyl ester, diester with butanediol
TL;DR: 2-Butenedioic acid (2E)-, monohexyl ester, diester with butanediol (CAS 63450-29-3) is a chemical compound with molecular formula C24H38O8 and molecular weight 454.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-[4-(4-hexoxy-4-oxobut-2-enoyl)oxybutyl] 1-O-hexyl but-2-enedioate
Also Known As: 2-Butenedioic acid (2E)-, monohexyl ester, diester with butanediol, 2-Butenedioic acid (2E)-, 1-hexyl ester, diester with butanediol, 2-Butenedioic acid (E)-, monohexyl ester, diester with butanediol, RefChem:257895
| Molecular Formula | C24H38O8 |
|---|---|
| Molecular Weight | 454.26 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 23 |
| Exact Mass | 454.25668 |
| Heavy Atoms | 32 |
| Complexity | 543.0 |
Chemical Identifiers
| CAS Number | 63450-29-3 |
|---|---|
| SMILES | CCCCCCOC(=O)C=CC(=O)OCCCCOC(=O)C=CC(=O)OCCCCCC |
| InChIKey | RZGVXOAFMQQLRO-UHFFFAOYSA-N |
Product Overview
2-Butenedioic acid (2E)-, monohexyl ester, diester with butanediol (CAS 63450-29-3), with molecular formula C24H38O8 and molecular weight 454.26 g/mol. IUPAC: 4-O-[4-(4-hexoxy-4-oxobut-2-enoyl)oxybutyl] 1-O-hexyl but-2-enedioate.
Chemical Property Profile of 2-Butenedioic acid (2E)-, monohexyl ester, diester with butanediol
Property Insights of 2-Butenedioic acid (2E)-, monohexyl ester, diester with butanediol
The XLogP value of 5.6 indicates that 2-Butenedioic acid (2E)-, monohexyl ester, diester with butanediol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butenedioic acid (2E)-, monohexyl ester, diester with butanediol. Following Lipinski's Rule of Five, 2-Butenedioic acid (2E)-, monohexyl ester, diester with butanediol has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Butenedioic acid (2E)-, monohexyl ester, diester with butanediol?
The CAS number of 2-Butenedioic acid (2E)-, monohexyl ester, diester with butanediol is 63450-29-3.
What is the molecular formula of 2-Butenedioic acid (2E)-, monohexyl ester, diester with butanediol?
The molecular formula of 2-Butenedioic acid (2E)-, monohexyl ester, diester with butanediol is C24H38O8.
What is the molecular weight of 2-Butenedioic acid (2E)-, monohexyl ester, diester with butanediol?
The molecular weight of 2-Butenedioic acid (2E)-, monohexyl ester, diester with butanediol is 454.26 g/mol.
Where can I buy 2-Butenedioic acid (2E)-, monohexyl ester, diester with butanediol?
You can request a quote for 2-Butenedioic acid (2E)-, monohexyl ester, diester with butanediol 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 (2E)-, monohexyl ester, diester with butanediol?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenedioic acid (2E)-, monohexyl ester, diester with butanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.