1-(3-Buten-1-yl) hexanedioate
TL;DR: 1-(3-Buten-1-yl) hexanedioate (CAS 64085-69-4) is a chemical compound with molecular formula C10H16O4 and molecular weight 200.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-but-3-enoxy-6-oxohexanoic acid
Also Known As: But-3-enyl hydrogen adipate, 3-Butenyl adipate, 6-but-3-enoxy-6-oxohexanoic acid, EINECS 264-661-9, Hexanedioic acid monobut-3-enyl ester
| Molecular Formula | C10H16O4 |
|---|---|
| Molecular Weight | 200.10 g/mol |
| LogP | 1.7507 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 200.10486 |
| Heavy Atoms | 14 |
| Complexity | 198.29868 |
Chemical Identifiers
| CAS Number | 64085-69-4 |
|---|---|
| SMILES | C=CCCOC(=O)CCCCC(=O)O |
Product Overview
1-(3-Buten-1-yl) hexanedioate (CAS 64085-69-4), with molecular formula C10H16O4 and molecular weight 200.10 g/mol. IUPAC: 6-but-3-enoxy-6-oxohexanoic acid.
Chemical Property Profile of 1-(3-Buten-1-yl) hexanedioate
Property Insights of 1-(3-Buten-1-yl) hexanedioate
The XLogP value of 1.7507 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Buten-1-yl) hexanedioate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Buten-1-yl) hexanedioate. Following Lipinski's Rule of Five, 1-(3-Buten-1-yl) hexanedioate 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) hexanedioate?
The CAS number of 1-(3-Buten-1-yl) hexanedioate is 64085-69-4.
What is the molecular formula of 1-(3-Buten-1-yl) hexanedioate?
The molecular formula of 1-(3-Buten-1-yl) hexanedioate is C10H16O4.
What is the molecular weight of 1-(3-Buten-1-yl) hexanedioate?
The molecular weight of 1-(3-Buten-1-yl) hexanedioate is 200.10 g/mol.
Where can I buy 1-(3-Buten-1-yl) hexanedioate?
You can request a quote for 1-(3-Buten-1-yl) hexanedioate 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) hexanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Buten-1-yl) hexanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.