O1-cinnamoyl-4-chlorobenzene-1-carbohydroximamide
TL;DR: O1-cinnamoyl-4-chlorobenzene-1-carbohydroximamide (CAS 658039-49-7) 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.
[(Z)-[amino-(4-chlorophenyl)methylidene]amino] (E)-3-phenylprop-2-enoate
Also Known As: 4-Chloro-N-(cinnamoyloxy)benzimidamide, O1-cinnamoyl-4-chlorobenzene-1-carbohydroximamide, 4-chloro-N'-{[(2E)-3-phenylprop-2-enoyl]oxy}benzenecarboximidamide, [(Z)-[amino-(4-chlorophenyl)methylidene]amino] (E)-3-phenylprop-2-enoate
| Molecular Formula | C16H13ClN2O2 |
|---|---|
| Molecular Weight | 300.07 g/mol |
| LogP | 3.2169 |
| Topological Polar Surface Area | 64.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.06656 |
| Heavy Atoms | 21 |
| Complexity | 664.43616 |
Chemical Identifiers
| CAS Number | 658039-49-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/C(=O)O/N=C(/C2=CC=C(C=C2)Cl)\N |
Product Overview
O1-cinnamoyl-4-chlorobenzene-1-carbohydroximamide (CAS 658039-49-7), with molecular formula C16H13ClN2O2 and molecular weight 300.07 g/mol. IUPAC: [(Z)-[amino-(4-chlorophenyl)methylidene]amino] (E)-3-phenylprop-2-enoate.
Chemical Property Profile of O1-cinnamoyl-4-chlorobenzene-1-carbohydroximamide
Property Insights of O1-cinnamoyl-4-chlorobenzene-1-carbohydroximamide
The XLogP value of 3.2169 indicates that O1-cinnamoyl-4-chlorobenzene-1-carbohydroximamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.68 Ų falls within the moderate polarity range, balancing permeability and solubility for O1-cinnamoyl-4-chlorobenzene-1-carbohydroximamide. Following Lipinski's Rule of Five, O1-cinnamoyl-4-chlorobenzene-1-carbohydroximamide has 1 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 O1-cinnamoyl-4-chlorobenzene-1-carbohydroximamide?
The CAS number of O1-cinnamoyl-4-chlorobenzene-1-carbohydroximamide is 658039-49-7.
What is the molecular formula of O1-cinnamoyl-4-chlorobenzene-1-carbohydroximamide?
The molecular formula of O1-cinnamoyl-4-chlorobenzene-1-carbohydroximamide is C16H13ClN2O2.
What is the molecular weight of O1-cinnamoyl-4-chlorobenzene-1-carbohydroximamide?
The molecular weight of O1-cinnamoyl-4-chlorobenzene-1-carbohydroximamide is 300.07 g/mol.
Where can I buy O1-cinnamoyl-4-chlorobenzene-1-carbohydroximamide?
You can request a quote for O1-cinnamoyl-4-chlorobenzene-1-carbohydroximamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O1-cinnamoyl-4-chlorobenzene-1-carbohydroximamide?
Yes, KEHONG BIO provides custom synthesis services for O1-cinnamoyl-4-chlorobenzene-1-carbohydroximamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.