己二酸二丙酯
TL;DR: 己二酸二丙酯 (CAS 106-19-4) is a chemical compound with molecular formula C12H22O4 and molecular weight 230.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
己二酸二丙酯
dipropyl hexanedioate
Also Known As: Dipropyl adipate, DIPROPYL HEXANEDIOATE, Di-n-propyl adipate, Adipic acid, dipropyl ester, dipropyl ester
| Molecular Formula | C12H22O4 |
|---|---|
| Molecular Weight | 230.15 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 230.15181 |
| Heavy Atoms | 16 |
| Complexity | 179.0 |
| Melting Point | -20 °C |
| Boiling Point | 273.00 to 274.00 °C. @ 760.00 mm Hg |
| Density | 0.979-0.983 (20°) |
| Solubility | very slightly |
| Refractive Index | 1.429-1.433 |
Chemical Identifiers
| CAS Number | 106-19-4 |
|---|---|
| SMILES | CCCOC(=O)CCCCC(=O)OCCC |
| InChIKey | NKOUWLLFHNBUDW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
己二酸二丙酯 (CAS 106-19-4), with molecular formula C12H22O4 and molecular weight 230.15 g/mol. IUPAC: dipropyl hexanedioate.
Chemical Property Profile of 己二酸二丙酯
Property Insights of 己二酸二丙酯
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 己二酸二丙酯. With a topological polar surface area (TPSA) of 52.6 Ų, 己二酸二丙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 己二酸二丙酯 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 己二酸二丙酯?
The CAS number of 己二酸二丙酯 is 106-19-4.
What is the molecular formula of 己二酸二丙酯?
The molecular formula of 己二酸二丙酯 is C12H22O4.
What is the molecular weight of 己二酸二丙酯?
The molecular weight of 己二酸二丙酯 is 230.15 g/mol.
Where can I buy 己二酸二丙酯?
You can request a quote for 己二酸二丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 己二酸二丙酯?
Yes, KEHONG BIO provides custom synthesis services for 己二酸二丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.