(3,4,5-三甲氧基亚苄基)丙二腈
TL;DR: (3,4,5-三甲氧基亚苄基)丙二腈 (CAS 5688-82-4) is a chemical compound with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4,5-三甲氧基亚苄基)丙二腈
2-[(3,4,5-trimethoxyphenyl)methylidene]propanedinitrile
Also Known As: 3,4,5-Trimethoxybenzylidenemalononitrile, 2-[(3,4,5-trimethoxyphenyl)methylidene]propanedinitrile, MALONONITRILE, (3,4,5-TRIMETHOXYBENZYLIDENE)-, [(3,4,5-Trimethoxyphenyl)methylene]malononitrile, 2-(3,4,5-Trimethoxy-benzylidene)-malononitrile
| Molecular Formula | C13H12N2O3 |
|---|---|
| Molecular Weight | 244.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 244.0848 |
| Heavy Atoms | 18 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 5688-82-4 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C=C(C#N)C#N |
| InChIKey | SHANJVNUXNVEJC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3,4,5-三甲氧基亚苄基)丙二腈 (CAS 5688-82-4), with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol. IUPAC: 2-[(3,4,5-trimethoxyphenyl)methylidene]propanedinitrile.
Chemical Property Profile of (3,4,5-三甲氧基亚苄基)丙二腈
Property Insights of (3,4,5-三甲氧基亚苄基)丙二腈
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3,4,5-三甲氧基亚苄基)丙二腈. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (3,4,5-三甲氧基亚苄基)丙二腈. Following Lipinski's Rule of Five, (3,4,5-三甲氧基亚苄基)丙二腈 has 0 hydrogen bond donor(s) and 5 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 (3,4,5-三甲氧基亚苄基)丙二腈?
The CAS number of (3,4,5-三甲氧基亚苄基)丙二腈 is 5688-82-4.
What is the molecular formula of (3,4,5-三甲氧基亚苄基)丙二腈?
The molecular formula of (3,4,5-三甲氧基亚苄基)丙二腈 is C13H12N2O3.
What is the molecular weight of (3,4,5-三甲氧基亚苄基)丙二腈?
The molecular weight of (3,4,5-三甲氧基亚苄基)丙二腈 is 244.08 g/mol.
Where can I buy (3,4,5-三甲氧基亚苄基)丙二腈?
You can request a quote for (3,4,5-三甲氧基亚苄基)丙二腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,4,5-三甲氧基亚苄基)丙二腈?
Yes, KEHONG BIO provides custom synthesis services for (3,4,5-三甲氧基亚苄基)丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.