丙二酸二丙酯
TL;DR: 丙二酸二丙酯 (CAS 1117-19-7) is a chemical compound with molecular formula C9H16O4 and molecular weight 188.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丙二酸二丙酯
dipropyl propanedioate
Also Known As: Dipropyl malonate, dipropyl propanedioate, Dipropylmalonate, 1,3-dipropyl propanedioate, Di-n-propyl malonate
| Molecular Formula | C9H16O4 |
|---|---|
| Molecular Weight | 188.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 188.10486 |
| Heavy Atoms | 13 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 1117-19-7 |
|---|---|
| SMILES | CCCOC(=O)CC(=O)OCCC |
| InChIKey | LWIWFCDNJNZEKB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丙二酸二丙酯 (CAS 1117-19-7), with molecular formula C9H16O4 and molecular weight 188.10 g/mol. IUPAC: dipropyl propanedioate.
Chemical Property Profile of 丙二酸二丙酯
Property Insights of 丙二酸二丙酯
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丙二酸二丙酯. With a topological polar surface area (TPSA) of 52.6 Ų, 丙二酸二丙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丙二酸二丙酯 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 丙二酸二丙酯?
The CAS number of 丙二酸二丙酯 is 1117-19-7.
What is the molecular formula of 丙二酸二丙酯?
The molecular formula of 丙二酸二丙酯 is C9H16O4.
What is the molecular weight of 丙二酸二丙酯?
The molecular weight of 丙二酸二丙酯 is 188.10 g/mol.
Where can I buy 丙二酸二丙酯?
You can request a quote for 丙二酸二丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丙二酸二丙酯?
Yes, KEHONG BIO provides custom synthesis services for 丙二酸二丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.