![[[4-[cyano-(4-methoxyphenyl)methylidene]cyclohexa-2,5-dien-1 structure](/static/products/7596/7596-13-6.webp)
[[4-[cyano-(4-methoxyphenyl)methylidene]cyclohexa-2,5-dien-1
TL;DR: [[4-[cyano-(4-methoxyphenyl)methylidene]cyclohexa-2,5-dien-1 (CAS 7596-13-6) is a chemical compound with molecular formula C22H16N2O3 and molecular weight 356.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[4-[cyano-(4-methoxyphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] benzoate
Also Known As: [[4-[cyano-(4-methoxyphenyl)methylidene]cyclohexa-2,5-dien-1|(2Z)-{(4Z)-4-[(Benzoyloxy)imino]cyclohexa-2,5-dien-1-ylidene}(4-methoxyphenyl)acetonitrile|[[4-[cyano-(4-methoxyphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] benzoate
| Molecular Formula | C22H16N2O3 |
|---|---|
| Molecular Weight | 356.12 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 71.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.1161 |
| Heavy Atoms | 27 |
| Complexity | 691.0 |
Chemical Identifiers
| CAS Number | 7596-13-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=C2C=CC(=NOC(=O)C3=CC=CC=C3)C=C2)C#N |
| InChIKey | WVCUSLPDWXMKAU-UHFFFAOYSA-N |
Product Overview
[[4-[cyano-(4-methoxyphenyl)methylidene]cyclohexa-2,5-dien-1 (CAS 7596-13-6), with molecular formula C22H16N2O3 and molecular weight 356.12 g/mol. IUPAC: [[4-[cyano-(4-methoxyphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] benzoate.
Chemical Property Profile of [[4-[cyano-(4-methoxyphenyl)methylidene]cyclohexa-2,5-dien-1
Property Insights of [[4-[cyano-(4-methoxyphenyl)methylidene]cyclohexa-2,5-dien-1
The XLogP value of 4.2 indicates that [[4-[cyano-(4-methoxyphenyl)methylidene]cyclohexa-2,5-dien-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.7 Ų falls within the moderate polarity range, balancing permeability and solubility for [[4-[cyano-(4-methoxyphenyl)methylidene]cyclohexa-2,5-dien-1. Following Lipinski's Rule of Five, [[4-[cyano-(4-methoxyphenyl)methylidene]cyclohexa-2,5-dien-1 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 [[4-[cyano-(4-methoxyphenyl)methylidene]cyclohexa-2,5-dien-1?
The CAS number of [[4-[cyano-(4-methoxyphenyl)methylidene]cyclohexa-2,5-dien-1 is 7596-13-6.
What is the molecular formula of [[4-[cyano-(4-methoxyphenyl)methylidene]cyclohexa-2,5-dien-1?
The molecular formula of [[4-[cyano-(4-methoxyphenyl)methylidene]cyclohexa-2,5-dien-1 is C22H16N2O3.
What is the molecular weight of [[4-[cyano-(4-methoxyphenyl)methylidene]cyclohexa-2,5-dien-1?
The molecular weight of [[4-[cyano-(4-methoxyphenyl)methylidene]cyclohexa-2,5-dien-1 is 356.12 g/mol.
Where can I buy [[4-[cyano-(4-methoxyphenyl)methylidene]cyclohexa-2,5-dien-1?
You can request a quote for [[4-[cyano-(4-methoxyphenyl)methylidene]cyclohexa-2,5-dien-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [[4-[cyano-(4-methoxyphenyl)methylidene]cyclohexa-2,5-dien-1?
Yes, KEHONG BIO provides custom synthesis services for [[4-[cyano-(4-methoxyphenyl)methylidene]cyclohexa-2,5-dien-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.