3-(4-Methoxyphenyl)cyclopropane-1,1,2,2-tetracarbonitrile
TL;DR: 3-(4-Methoxyphenyl)cyclopropane-1,1,2,2-tetracarbonitrile (CAS 23847-74-7) is a chemical compound with molecular formula C14H8N4O and molecular weight 248.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyphenyl)cyclopropane-1,1,2,2-tetracarbonitrile
Also Known As: Maybridge3_000724, 3-(4-methoxyphenyl)cyclopropane-1,1,2,2-tetracarbonitrile, IDI1_012111, J2.551.161A, 1,1,2,2-Cyclopropanetetracarbonitrile,(4-methoxyphenyl)-
| Molecular Formula | C14H8N4O |
|---|---|
| Molecular Weight | 248.07 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.06981 |
| Heavy Atoms | 19 |
| Complexity | 504.0 |
Chemical Identifiers
| CAS Number | 23847-74-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2C(C2(C#N)C#N)(C#N)C#N |
| InChIKey | RRNQCBSXGOYEDE-UHFFFAOYSA-N |
Product Overview
3-(4-Methoxyphenyl)cyclopropane-1,1,2,2-tetracarbonitrile (CAS 23847-74-7), with molecular formula C14H8N4O and molecular weight 248.07 g/mol. IUPAC: 3-(4-methoxyphenyl)cyclopropane-1,1,2,2-tetracarbonitrile.
Chemical Property Profile of 3-(4-Methoxyphenyl)cyclopropane-1,1,2,2-tetracarbonitrile
Property Insights of 3-(4-Methoxyphenyl)cyclopropane-1,1,2,2-tetracarbonitrile
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Methoxyphenyl)cyclopropane-1,1,2,2-tetracarbonitrile. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Methoxyphenyl)cyclopropane-1,1,2,2-tetracarbonitrile. Following Lipinski's Rule of Five, 3-(4-Methoxyphenyl)cyclopropane-1,1,2,2-tetracarbonitrile has 0 hydrogen bond donor(s) and 5 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-(4-Methoxyphenyl)cyclopropane-1,1,2,2-tetracarbonitrile?
The CAS number of 3-(4-Methoxyphenyl)cyclopropane-1,1,2,2-tetracarbonitrile is 23847-74-7.
What is the molecular formula of 3-(4-Methoxyphenyl)cyclopropane-1,1,2,2-tetracarbonitrile?
The molecular formula of 3-(4-Methoxyphenyl)cyclopropane-1,1,2,2-tetracarbonitrile is C14H8N4O.
What is the molecular weight of 3-(4-Methoxyphenyl)cyclopropane-1,1,2,2-tetracarbonitrile?
The molecular weight of 3-(4-Methoxyphenyl)cyclopropane-1,1,2,2-tetracarbonitrile is 248.07 g/mol.
Where can I buy 3-(4-Methoxyphenyl)cyclopropane-1,1,2,2-tetracarbonitrile?
You can request a quote for 3-(4-Methoxyphenyl)cyclopropane-1,1,2,2-tetracarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methoxyphenyl)cyclopropane-1,1,2,2-tetracarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methoxyphenyl)cyclopropane-1,1,2,2-tetracarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.