亚苄基丙二酸二异丙酯
TL;DR: 亚苄基丙二酸二异丙酯 (CAS 155306-02-8) is a chemical compound with molecular formula C16H20O4 and molecular weight 276.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
亚苄基丙二酸二异丙酯
dipropan-2-yl 2-benzylidenepropanedioate
Also Known As: diisopropyl benzylidenemalonate, dipropan-2-yl 2-benzylidenepropanedioate, Benzylidenemalonic acid diisopropyl ester, Di(propan-2-yl) benzylidenepropanedioate, 2-Benzylidenemalonic acid diisopropyl ester
| Molecular Formula | C16H20O4 |
|---|---|
| Molecular Weight | 276.14 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 276.13617 |
| Heavy Atoms | 20 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 155306-02-8 |
|---|---|
| SMILES | CC(C)OC(=O)C(=CC1=CC=CC=C1)C(=O)OC(C)C |
| InChIKey | IWBRIUOCFWJGPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
亚苄基丙二酸二异丙酯 (CAS 155306-02-8), with molecular formula C16H20O4 and molecular weight 276.14 g/mol. IUPAC: dipropan-2-yl 2-benzylidenepropanedioate.
Chemical Property Profile of 亚苄基丙二酸二异丙酯
Property Insights of 亚苄基丙二酸二异丙酯
The XLogP value of 3.8 indicates that 亚苄基丙二酸二异丙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 亚苄基丙二酸二异丙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 亚苄基丙二酸二异丙酯 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 亚苄基丙二酸二异丙酯?
The CAS number of 亚苄基丙二酸二异丙酯 is 155306-02-8.
What is the molecular formula of 亚苄基丙二酸二异丙酯?
The molecular formula of 亚苄基丙二酸二异丙酯 is C16H20O4.
What is the molecular weight of 亚苄基丙二酸二异丙酯?
The molecular weight of 亚苄基丙二酸二异丙酯 is 276.14 g/mol.
Where can I buy 亚苄基丙二酸二异丙酯?
You can request a quote for 亚苄基丙二酸二异丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 亚苄基丙二酸二异丙酯?
Yes, KEHONG BIO provides custom synthesis services for 亚苄基丙二酸二异丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.