4-(6-甲基庚氧基)-4-氧代丁-2-烯酸
TL;DR: 4-(6-甲基庚氧基)-4-氧代丁-2-烯酸 (CAS 30137-97-4) is a chemical compound with molecular formula C12H20O4 and molecular weight 228.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(6-甲基庚氧基)-4-氧代丁-2-烯酸
4-(6-methylheptoxy)-4-oxobut-2-enoic acid
Also Known As: Monoisooctyl maleate, Isooctyl hydrogen 2-butenedioate, 2-Butenedioic acid(2Z)-, monoisooctyl ester, 4-(6-methylheptoxy)-4-oxobut-2-enoic acid, 2-Butenedioic acid (2Z)-, monoisooctyl ester
| Molecular Formula | C12H20O4 |
|---|---|
| Molecular Weight | 228.14 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 228.13615 |
| Heavy Atoms | 16 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 30137-97-4 |
|---|---|
| SMILES | CC(C)CCCCCOC(=O)C=CC(=O)O |
| InChIKey | FDNBQVCBHKEDOJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(6-甲基庚氧基)-4-氧代丁-2-烯酸 (CAS 30137-97-4), with molecular formula C12H20O4 and molecular weight 228.14 g/mol. IUPAC: 4-(6-methylheptoxy)-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-(6-甲基庚氧基)-4-氧代丁-2-烯酸
Property Insights of 4-(6-甲基庚氧基)-4-氧代丁-2-烯酸
The XLogP value of 3.0 indicates that 4-(6-甲基庚氧基)-4-氧代丁-2-烯酸 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 4-(6-甲基庚氧基)-4-氧代丁-2-烯酸. Following Lipinski's Rule of Five, 4-(6-甲基庚氧基)-4-氧代丁-2-烯酸 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 4-(6-甲基庚氧基)-4-氧代丁-2-烯酸?
The CAS number of 4-(6-甲基庚氧基)-4-氧代丁-2-烯酸 is 30137-97-4.
What is the molecular formula of 4-(6-甲基庚氧基)-4-氧代丁-2-烯酸?
The molecular formula of 4-(6-甲基庚氧基)-4-氧代丁-2-烯酸 is C12H20O4.
What is the molecular weight of 4-(6-甲基庚氧基)-4-氧代丁-2-烯酸?
The molecular weight of 4-(6-甲基庚氧基)-4-氧代丁-2-烯酸 is 228.14 g/mol.
Where can I buy 4-(6-甲基庚氧基)-4-氧代丁-2-烯酸?
You can request a quote for 4-(6-甲基庚氧基)-4-氧代丁-2-烯酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(6-甲基庚氧基)-4-氧代丁-2-烯酸?
Yes, KEHONG BIO provides custom synthesis services for 4-(6-甲基庚氧基)-4-氧代丁-2-烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.