1,6-Di-2-propyn-1-yl hexanedioate
TL;DR: 1,6-Di-2-propyn-1-yl hexanedioate (CAS 105752-04-3) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(prop-2-ynyl) hexanedioate
Also Known As: dipropargyl adipate, Di-2-propynyl adipate, diprop-2-yn-1-yl hexanedioate, Adipic acid dipropargyl ester, ADIPIC ACID, DI-2-PROPYNYL ESTER
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 105752-04-3 |
|---|---|
| SMILES | C#CCOC(=O)CCCCC(=O)OCC#C |
| InChIKey | UUKXRCZQOHIIPD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,6-Di-2-propyn-1-yl hexanedioate (CAS 105752-04-3), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: bis(prop-2-ynyl) hexanedioate.
Chemical Property Profile of 1,6-Di-2-propyn-1-yl hexanedioate
Property Insights of 1,6-Di-2-propyn-1-yl hexanedioate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,6-Di-2-propyn-1-yl hexanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, 1,6-Di-2-propyn-1-yl hexanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,6-Di-2-propyn-1-yl hexanedioate has 0 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 1,6-Di-2-propyn-1-yl hexanedioate?
The CAS number of 1,6-Di-2-propyn-1-yl hexanedioate is 105752-04-3.
What is the molecular formula of 1,6-Di-2-propyn-1-yl hexanedioate?
The molecular formula of 1,6-Di-2-propyn-1-yl hexanedioate is C12H14O4.
What is the molecular weight of 1,6-Di-2-propyn-1-yl hexanedioate?
The molecular weight of 1,6-Di-2-propyn-1-yl hexanedioate is 222.09 g/mol.
Where can I buy 1,6-Di-2-propyn-1-yl hexanedioate?
You can request a quote for 1,6-Di-2-propyn-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 1,6-Di-2-propyn-1-yl hexanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,6-Di-2-propyn-1-yl hexanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.