3-(苄氧基)亚苄基丙二腈
TL;DR: 3-(苄氧基)亚苄基丙二腈 (CAS 278609-50-0) is a chemical compound with molecular formula C17H12N2O and molecular weight 260.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(苄氧基)亚苄基丙二腈
2-[(3-phenylmethoxyphenyl)methylidene]propanedinitrile
Also Known As: 3-(Benzyloxy)benzylidenemalononitrile, [3-(benzyloxy)benzylidene]malononitrile, 2-[3-(benzyloxy)benzylidene]malononitrile, UPCMLD0ENAT5384235:001, 2-[(3-phenylmethoxyphenyl)methylidene]propanedinitrile
| Molecular Formula | C17H12N2O |
|---|---|
| Molecular Weight | 260.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.09497 |
| Heavy Atoms | 20 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 278609-50-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC=CC(=C2)C=C(C#N)C#N |
| InChIKey | GUPFBEZHZBWXGE-UHFFFAOYSA-N |
Product Overview
3-(苄氧基)亚苄基丙二腈 (CAS 278609-50-0), with molecular formula C17H12N2O and molecular weight 260.09 g/mol. IUPAC: 2-[(3-phenylmethoxyphenyl)methylidene]propanedinitrile.
Chemical Property Profile of 3-(苄氧基)亚苄基丙二腈
Property Insights of 3-(苄氧基)亚苄基丙二腈
The XLogP value of 3.5 indicates that 3-(苄氧基)亚苄基丙二腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.8 Ų, 3-(苄氧基)亚苄基丙二腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(苄氧基)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 3-(苄氧基)亚苄基丙二腈?
The CAS number of 3-(苄氧基)亚苄基丙二腈 is 278609-50-0.
What is the molecular formula of 3-(苄氧基)亚苄基丙二腈?
The molecular formula of 3-(苄氧基)亚苄基丙二腈 is C17H12N2O.
What is the molecular weight of 3-(苄氧基)亚苄基丙二腈?
The molecular weight of 3-(苄氧基)亚苄基丙二腈 is 260.09 g/mol.
Where can I buy 3-(苄氧基)亚苄基丙二腈?
You can request a quote for 3-(苄氧基)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-(苄氧基)亚苄基丙二腈?
Yes, KEHONG BIO provides custom synthesis services for 3-(苄氧基)亚苄基丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.