(2,4-二甲氧基亚苄基)丙二腈
TL;DR: (2,4-二甲氧基亚苄基)丙二腈 (CAS 2972-78-3) is a chemical compound with molecular formula C12H10N2O2 and molecular weight 214.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-二甲氧基亚苄基)丙二腈
2-[(2,4-dimethoxyphenyl)methylidene]propanedinitrile
Also Known As: (2,4-Dimethoxybenzylidene)malononitrile, MALONONITRILE, (2,4-DIMETHOXYBENZYLIDENE)-, 2,4-Dimethoxybenzylidenemalononitrile, 2-[(2,4-dimethoxyphenyl)methylidene]propanedinitrile, (2,4-dimethoxybenzylidene)propanedinitrile
| Molecular Formula | C12H10N2O2 |
|---|---|
| Molecular Weight | 214.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.07423 |
| Heavy Atoms | 16 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 2972-78-3 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)C=C(C#N)C#N)OC |
| InChIKey | VNSYEOGIEARFNL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2,4-二甲氧基亚苄基)丙二腈 (CAS 2972-78-3), with molecular formula C12H10N2O2 and molecular weight 214.07 g/mol. IUPAC: 2-[(2,4-dimethoxyphenyl)methylidene]propanedinitrile.
Chemical Property Profile of (2,4-二甲氧基亚苄基)丙二腈
Property Insights of (2,4-二甲氧基亚苄基)丙二腈
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,4-二甲氧基亚苄基)丙二腈. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,4-二甲氧基亚苄基)丙二腈. Following Lipinski's Rule of Five, (2,4-二甲氧基亚苄基)丙二腈 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 (2,4-二甲氧基亚苄基)丙二腈?
The CAS number of (2,4-二甲氧基亚苄基)丙二腈 is 2972-78-3.
What is the molecular formula of (2,4-二甲氧基亚苄基)丙二腈?
The molecular formula of (2,4-二甲氧基亚苄基)丙二腈 is C12H10N2O2.
What is the molecular weight of (2,4-二甲氧基亚苄基)丙二腈?
The molecular weight of (2,4-二甲氧基亚苄基)丙二腈 is 214.07 g/mol.
Where can I buy (2,4-二甲氧基亚苄基)丙二腈?
You can request a quote for (2,4-二甲氧基亚苄基)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 (2,4-二甲氧基亚苄基)丙二腈?
Yes, KEHONG BIO provides custom synthesis services for (2,4-二甲氧基亚苄基)丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.