4-甲氧基亚苄基丙二腈
TL;DR: 4-甲氧基亚苄基丙二腈 (CAS 2826-26-8) 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.
4-甲氧基亚苄基丙二腈
2-[(4-methoxyphenyl)methylidene]propanedinitrile
Also Known As: Tyrphostin A1, Tyrphostin 1, Tyrphostin 1;AG9, (4-Methoxybenzylidene)malononitrile, Tyrphostin A-1
| Molecular Formula | C11H8N2O |
|---|---|
| Molecular Weight | 184.06 g/mol |
| LogP | 2.0 |
| 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 | 289.0 |
Chemical Identifiers
| CAS Number | 2826-26-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C=C(C#N)C#N |
| InChIKey | UOHFCPXBKJPCAD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-甲氧基亚苄基丙二腈 (CAS 2826-26-8), with molecular formula C11H8N2O and molecular weight 184.06 g/mol. IUPAC: 2-[(4-methoxyphenyl)methylidene]propanedinitrile.
Chemical Property Profile of 4-甲氧基亚苄基丙二腈
Property Insights of 4-甲氧基亚苄基丙二腈
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-甲氧基亚苄基丙二腈. With a topological polar surface area (TPSA) of 56.8 Ų, 4-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, 4-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 4-甲氧基亚苄基丙二腈?
The CAS number of 4-甲氧基亚苄基丙二腈 is 2826-26-8.
What is the molecular formula of 4-甲氧基亚苄基丙二腈?
The molecular formula of 4-甲氧基亚苄基丙二腈 is C11H8N2O.
What is the molecular weight of 4-甲氧基亚苄基丙二腈?
The molecular weight of 4-甲氧基亚苄基丙二腈 is 184.06 g/mol.
Where can I buy 4-甲氧基亚苄基丙二腈?
You can request a quote for 4-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 4-甲氧基亚苄基丙二腈?
Yes, KEHONG BIO provides custom synthesis services for 4-甲氧基亚苄基丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.