![2-[(3-苯氧基苯基)亚甲基]丙二腈 structure](/static/products/7710/77103-01-6.webp)
2-[(3-苯氧基苯基)亚甲基]丙二腈
TL;DR: 2-[(3-苯氧基苯基)亚甲基]丙二腈 (CAS 77103-01-6) is a chemical compound with molecular formula C16H10N2O and molecular weight 246.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-苯氧基苯基)亚甲基]丙二腈
2-[(3-phenoxyphenyl)methylidene]propanedinitrile
Also Known As: 2-(3-Phenoxybenzylidene)malononitrile, starbld0003816, 2-[(3-phenoxyphenyl)methylidene]propanedinitrile, 3-Phenoxybenzylidenemalononitrile, (3-Phenoxybenzylidene)malononitrile
| Molecular Formula | C16H10N2O |
|---|---|
| Molecular Weight | 246.08 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.07932 |
| Heavy Atoms | 19 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 77103-01-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CC=CC(=C2)C=C(C#N)C#N |
| InChIKey | ZCCNLVKFRGRFFQ-UHFFFAOYSA-N |
Product Overview
2-[(3-苯氧基苯基)亚甲基]丙二腈 (CAS 77103-01-6), with molecular formula C16H10N2O and molecular weight 246.08 g/mol. IUPAC: 2-[(3-phenoxyphenyl)methylidene]propanedinitrile.
Chemical Property Profile of 2-[(3-苯氧基苯基)亚甲基]丙二腈
Property Insights of 2-[(3-苯氧基苯基)亚甲基]丙二腈
The XLogP value of 3.5 indicates that 2-[(3-苯氧基苯基)亚甲基]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, 2-[(3-苯氧基苯基)亚甲基]丙二腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3-苯氧基苯基)亚甲基]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-[(3-苯氧基苯基)亚甲基]丙二腈?
The CAS number of 2-[(3-苯氧基苯基)亚甲基]丙二腈 is 77103-01-6.
What is the molecular formula of 2-[(3-苯氧基苯基)亚甲基]丙二腈?
The molecular formula of 2-[(3-苯氧基苯基)亚甲基]丙二腈 is C16H10N2O.
What is the molecular weight of 2-[(3-苯氧基苯基)亚甲基]丙二腈?
The molecular weight of 2-[(3-苯氧基苯基)亚甲基]丙二腈 is 246.08 g/mol.
Where can I buy 2-[(3-苯氧基苯基)亚甲基]丙二腈?
You can request a quote for 2-[(3-苯氧基苯基)亚甲基]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-[(3-苯氧基苯基)亚甲基]丙二腈?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-苯氧基苯基)亚甲基]丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.