(对苄氧基苄亚基)丙二腈
TL;DR: (对苄氧基苄亚基)丙二腈 (CAS 27389-83-9) 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.
(对苄氧基苄亚基)丙二腈
2-[(4-phenylmethoxyphenyl)methylidene]propanedinitrile
Also Known As: p-Benzyloxybenzylidenemalononitrile, MALONONITRILE, (p-(BENZYLOXY)BENZYLIDENE)-, 2-[4-(benzyloxy)benzylidene]malononitrile, 4-(Benzyloxy)benzylidenemalononitrile, [p-(Benzyloxy)benzylidene]malononitrile
| Molecular Formula | C17H12N2O |
|---|---|
| Molecular Weight | 260.09 g/mol |
| LogP | 3.3 |
| 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 | 404.0 |
Chemical Identifiers
| CAS Number | 27389-83-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC=C(C=C2)C=C(C#N)C#N |
| InChIKey | GBQGNEMSQIQFRK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(对苄氧基苄亚基)丙二腈 (CAS 27389-83-9), with molecular formula C17H12N2O and molecular weight 260.09 g/mol. IUPAC: 2-[(4-phenylmethoxyphenyl)methylidene]propanedinitrile.
Chemical Property Profile of (对苄氧基苄亚基)丙二腈
Property Insights of (对苄氧基苄亚基)丙二腈
The XLogP value of 3.3 indicates that (对苄氧基苄亚基)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, (对苄氧基苄亚基)丙二腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (对苄氧基苄亚基)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 (对苄氧基苄亚基)丙二腈?
The CAS number of (对苄氧基苄亚基)丙二腈 is 27389-83-9.
What is the molecular formula of (对苄氧基苄亚基)丙二腈?
The molecular formula of (对苄氧基苄亚基)丙二腈 is C17H12N2O.
What is the molecular weight of (对苄氧基苄亚基)丙二腈?
The molecular weight of (对苄氧基苄亚基)丙二腈 is 260.09 g/mol.
Where can I buy (对苄氧基苄亚基)丙二腈?
You can request a quote for (对苄氧基苄亚基)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 (对苄氧基苄亚基)丙二腈?
Yes, KEHONG BIO provides custom synthesis services for (对苄氧基苄亚基)丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.