![[[4-[(4-chlorophenyl)-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]amino] acetate structure](/static/products/7509/7509-90-2.webp)
[[4-[(4-chlorophenyl)-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]amino] acetate
TL;DR: [[4-[(4-chlorophenyl)-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]amino] acetate (CAS 7509-90-2) is a chemical compound with molecular formula C16H11ClN2O2 and molecular weight 298.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[4-[(4-chlorophenyl)-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]amino] acetate
Also Known As: [[4-[(4-chlorophenyl)-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]amino] acetate|[[4-[(4-chlorophenyl)-cyanomethylidene]cyclohexa-2,5-dien-1-|(2Z)-{(4Z)-4-[(Acetyloxy)imino]cyclohexa-2,5-dien-1-ylidene}(4-chlorophenyl)acetonitrile
| Molecular Formula | C16H11ClN2O2 |
|---|---|
| Molecular Weight | 298.05 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 62.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.0509 |
| Heavy Atoms | 21 |
| Complexity | 567.0 |
Chemical Identifiers
| CAS Number | 7509-90-2 |
|---|---|
| SMILES | CC(=O)ON=C1C=CC(=C(C#N)C2=CC=C(C=C2)Cl)C=C1 |
| InChIKey | KCFMYCCDHQDVML-UHFFFAOYSA-N |
Product Overview
[[4-[(4-chlorophenyl)-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]amino] acetate (CAS 7509-90-2), with molecular formula C16H11ClN2O2 and molecular weight 298.05 g/mol. IUPAC: [[4-[(4-chlorophenyl)-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]amino] acetate.
Chemical Property Profile of [[4-[(4-chlorophenyl)-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]amino] acetate
Property Insights of [[4-[(4-chlorophenyl)-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]amino] acetate
The XLogP value of 3.2 indicates that [[4-[(4-chlorophenyl)-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]amino] acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.5 Ų falls within the moderate polarity range, balancing permeability and solubility for [[4-[(4-chlorophenyl)-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]amino] acetate. Following Lipinski's Rule of Five, [[4-[(4-chlorophenyl)-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]amino] acetate has 0 hydrogen bond donor(s) and 4 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-[(4-chlorophenyl)-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]amino] acetate?
The CAS number of [[4-[(4-chlorophenyl)-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]amino] acetate is 7509-90-2.
What is the molecular formula of [[4-[(4-chlorophenyl)-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]amino] acetate?
The molecular formula of [[4-[(4-chlorophenyl)-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]amino] acetate is C16H11ClN2O2.
What is the molecular weight of [[4-[(4-chlorophenyl)-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]amino] acetate?
The molecular weight of [[4-[(4-chlorophenyl)-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]amino] acetate is 298.05 g/mol.
Where can I buy [[4-[(4-chlorophenyl)-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]amino] acetate?
You can request a quote for [[4-[(4-chlorophenyl)-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]amino] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [[4-[(4-chlorophenyl)-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]amino] acetate?
Yes, KEHONG BIO provides custom synthesis services for [[4-[(4-chlorophenyl)-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]amino] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.