1-(3-Buten-1-yl) 1,4-benzenedicarboxylate
TL;DR: 1-(3-Buten-1-yl) 1,4-benzenedicarboxylate (CAS 62680-74-4) is a chemical compound with molecular formula C12H12O4 and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-but-3-enoxycarbonylbenzoic acid
Also Known As: 4-(But-3-en-1-yloxycarbonyl)benzoic acid, 4-but-3-enoxycarbonylbenzoic acid, 4-((But-3-en-1-yloxy)carbonyl)benzoic acid, 4- BENZOICACID, L[TPA+BE]
| Molecular Formula | C12H12O4 |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 2.1177 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 220.07356 |
| Heavy Atoms | 16 |
| Complexity | 391.9847 |
Chemical Identifiers
| CAS Number | 62680-74-4 |
|---|---|
| SMILES | C=CCCOC(=O)C1=CC=C(C=C1)C(=O)O |
Product Overview
1-(3-Buten-1-yl) 1,4-benzenedicarboxylate (CAS 62680-74-4), with molecular formula C12H12O4 and molecular weight 220.07 g/mol. IUPAC: 4-but-3-enoxycarbonylbenzoic acid.
Chemical Property Profile of 1-(3-Buten-1-yl) 1,4-benzenedicarboxylate
Property Insights of 1-(3-Buten-1-yl) 1,4-benzenedicarboxylate
The XLogP value of 2.1177 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Buten-1-yl) 1,4-benzenedicarboxylate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Buten-1-yl) 1,4-benzenedicarboxylate. Following Lipinski's Rule of Five, 1-(3-Buten-1-yl) 1,4-benzenedicarboxylate has 1 hydrogen bond donor(s) and 3 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 1-(3-Buten-1-yl) 1,4-benzenedicarboxylate?
The CAS number of 1-(3-Buten-1-yl) 1,4-benzenedicarboxylate is 62680-74-4.
What is the molecular formula of 1-(3-Buten-1-yl) 1,4-benzenedicarboxylate?
The molecular formula of 1-(3-Buten-1-yl) 1,4-benzenedicarboxylate is C12H12O4.
What is the molecular weight of 1-(3-Buten-1-yl) 1,4-benzenedicarboxylate?
The molecular weight of 1-(3-Buten-1-yl) 1,4-benzenedicarboxylate is 220.07 g/mol.
Where can I buy 1-(3-Buten-1-yl) 1,4-benzenedicarboxylate?
You can request a quote for 1-(3-Buten-1-yl) 1,4-benzenedicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Buten-1-yl) 1,4-benzenedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Buten-1-yl) 1,4-benzenedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.