2,5-Cyclohexadiene-.delta.(sup1,.alpha.)-acetonitrile, 2-chloro-.alpha.-
TL;DR: 2,5-Cyclohexadiene-.delta.(sup1,.alpha.)-acetonitrile, 2-chloro-.alpha.- (CAS 737-44-0) is a chemical compound with molecular formula C16H13ClN2O2 and molecular weight 300.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloro-4-hydroxyimino-3-methylcyclohexa-2,5-dien-1-ylidene)-2-(4-methoxyphenyl)acetonitrile
Also Known As: 2,5-Cyclohexadiene-.delta.(sup1,.alpha.)-acetonitrile, 2-chloro-.alpha.-, 2,5-Cyclohexadiene-.delta.(sup1,.alpha.)-acetonitrile, 2-chloro-.alpha.-(p-methoxyphenyl)-3-methyl-4-oxo-, oxime, 2-(2-chloro-4-hydroxyimino-3-methylcyclohexa-2,5-dien-1-ylidene)-2-(4-methoxyphenyl)acetonitrile
| Molecular Formula | C16H13ClN2O2 |
|---|---|
| Molecular Weight | 300.07 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.06656 |
| Heavy Atoms | 21 |
| Complexity | 585.0 |
Chemical Identifiers
| CAS Number | 737-44-0 |
|---|---|
| SMILES | CC1=C(C(=C(C#N)C2=CC=C(C=C2)OC)C=CC1=NO)Cl |
| InChIKey | XABHEHXHSDMSFU-UHFFFAOYSA-N |
Product Overview
2,5-Cyclohexadiene-.delta.(sup1,.alpha.)-acetonitrile, 2-chloro-.alpha.- (CAS 737-44-0), with molecular formula C16H13ClN2O2 and molecular weight 300.07 g/mol. IUPAC: 2-(2-chloro-4-hydroxyimino-3-methylcyclohexa-2,5-dien-1-ylidene)-2-(4-methoxyphenyl)acetonitrile.
Chemical Property Profile of 2,5-Cyclohexadiene-.delta.(sup1,.alpha.)-acetonitrile, 2-chloro-.alpha.-
Property Insights of 2,5-Cyclohexadiene-.delta.(sup1,.alpha.)-acetonitrile, 2-chloro-.alpha.-
The XLogP value of 3.2 indicates that 2,5-Cyclohexadiene-.delta.(sup1,.alpha.)-acetonitrile, 2-chloro-.alpha.- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Cyclohexadiene-.delta.(sup1,.alpha.)-acetonitrile, 2-chloro-.alpha.-. Following Lipinski's Rule of Five, 2,5-Cyclohexadiene-.delta.(sup1,.alpha.)-acetonitrile, 2-chloro-.alpha.- has 1 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 2,5-Cyclohexadiene-.delta.(sup1,.alpha.)-acetonitrile, 2-chloro-.alpha.-?
The CAS number of 2,5-Cyclohexadiene-.delta.(sup1,.alpha.)-acetonitrile, 2-chloro-.alpha.- is 737-44-0.
What is the molecular formula of 2,5-Cyclohexadiene-.delta.(sup1,.alpha.)-acetonitrile, 2-chloro-.alpha.-?
The molecular formula of 2,5-Cyclohexadiene-.delta.(sup1,.alpha.)-acetonitrile, 2-chloro-.alpha.- is C16H13ClN2O2.
What is the molecular weight of 2,5-Cyclohexadiene-.delta.(sup1,.alpha.)-acetonitrile, 2-chloro-.alpha.-?
The molecular weight of 2,5-Cyclohexadiene-.delta.(sup1,.alpha.)-acetonitrile, 2-chloro-.alpha.- is 300.07 g/mol.
Where can I buy 2,5-Cyclohexadiene-.delta.(sup1,.alpha.)-acetonitrile, 2-chloro-.alpha.-?
You can request a quote for 2,5-Cyclohexadiene-.delta.(sup1,.alpha.)-acetonitrile, 2-chloro-.alpha.- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Cyclohexadiene-.delta.(sup1,.alpha.)-acetonitrile, 2-chloro-.alpha.-?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Cyclohexadiene-.delta.(sup1,.alpha.)-acetonitrile, 2-chloro-.alpha.- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.