(2-甲氧基亚苄基)丙二腈
TL;DR: (2-甲氧基亚苄基)丙二腈 (CAS 2834-10-8) is a chemical compound with molecular formula C11H8N2O and molecular weight 184.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-甲氧基亚苄基)丙二腈
2-[(2-methoxyphenyl)methylidene]propanedinitrile
Also Known As: 2-Methoxybenzylidenemalononitrile, dicyanovinyl-anisole, 2-(2-Methoxybenzylidene)malononitrile, (2-methoxybenzylidene)malononitrile, Maybridge1_007164
| Molecular Formula | C11H8N2O |
|---|---|
| Molecular Weight | 184.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.06366 |
| Heavy Atoms | 14 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 2834-10-8 |
|---|---|
| SMILES | COC1=CC=CC=C1C=C(C#N)C#N |
| InChIKey | YCZZNGRKFVBLDL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2-甲氧基亚苄基)丙二腈 (CAS 2834-10-8), with molecular formula C11H8N2O and molecular weight 184.06 g/mol. IUPAC: 2-[(2-methoxyphenyl)methylidene]propanedinitrile.
Chemical Property Profile of (2-甲氧基亚苄基)丙二腈
Property Insights of (2-甲氧基亚苄基)丙二腈
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-甲氧基亚苄基)丙二腈. With a topological polar surface area (TPSA) of 56.8 Ų, (2-甲氧基亚苄基)丙二腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-甲氧基亚苄基)丙二腈 has 0 hydrogen bond donor(s) and 3 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-甲氧基亚苄基)丙二腈?
The CAS number of (2-甲氧基亚苄基)丙二腈 is 2834-10-8.
What is the molecular formula of (2-甲氧基亚苄基)丙二腈?
The molecular formula of (2-甲氧基亚苄基)丙二腈 is C11H8N2O.
What is the molecular weight of (2-甲氧基亚苄基)丙二腈?
The molecular weight of (2-甲氧基亚苄基)丙二腈 is 184.06 g/mol.
Where can I buy (2-甲氧基亚苄基)丙二腈?
You can request a quote for (2-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-甲氧基亚苄基)丙二腈?
Yes, KEHONG BIO provides custom synthesis services for (2-甲氧基亚苄基)丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.