(Z)-methyl 4-((3-(2-hydroxy-6-oxocyclohex-1-en-1-yl)-3-oxoprop-1-en-1-yl)amino)benzoate
TL;DR: (Z)-methyl 4-((3-(2-hydroxy-6-oxocyclohex-1-en-1-yl)-3-oxoprop-1-en-1-yl)amino)benzoate (CAS 374705-07-4) is a chemical compound with molecular formula C17H17NO5 and molecular weight 315.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[(Z)-3-(2,6-dioxocyclohexylidene)-3-hydroxyprop-1-enyl]amino]benzoate
Also Known As: (Z)-methyl 4-((3-(2-hydroxy-6-oxocyclohex-1-en-1-yl)-3-oxoprop-1-en-1-yl)amino)benzoate, methyl 4-[[(Z)-3-(2,6-dioxocyclohexylidene)-3-hydroxyprop-1-enyl]amino]benzoate
| Molecular Formula | C17H17NO5 |
|---|---|
| Molecular Weight | 315.11 g/mol |
| LogP | 2.533 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.1107 |
| Heavy Atoms | 23 |
| Complexity | 667.4402 |
Chemical Identifiers
| CAS Number | 374705-07-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N/C=C\C(=C2C(=O)CCCC2=O)O |
Product Overview
(Z)-methyl 4-((3-(2-hydroxy-6-oxocyclohex-1-en-1-yl)-3-oxoprop-1-en-1-yl)amino)benzoate (CAS 374705-07-4), with molecular formula C17H17NO5 and molecular weight 315.11 g/mol. IUPAC: methyl 4-[[(Z)-3-(2,6-dioxocyclohexylidene)-3-hydroxyprop-1-enyl]amino]benzoate.
Chemical Property Profile of (Z)-methyl 4-((3-(2-hydroxy-6-oxocyclohex-1-en-1-yl)-3-oxoprop-1-en-1-yl)amino)benzoate
Property Insights of (Z)-methyl 4-((3-(2-hydroxy-6-oxocyclohex-1-en-1-yl)-3-oxoprop-1-en-1-yl)amino)benzoate
The XLogP value of 2.533 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-methyl 4-((3-(2-hydroxy-6-oxocyclohex-1-en-1-yl)-3-oxoprop-1-en-1-yl)amino)benzoate. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-methyl 4-((3-(2-hydroxy-6-oxocyclohex-1-en-1-yl)-3-oxoprop-1-en-1-yl)amino)benzoate. Following Lipinski's Rule of Five, (Z)-methyl 4-((3-(2-hydroxy-6-oxocyclohex-1-en-1-yl)-3-oxoprop-1-en-1-yl)amino)benzoate has 2 hydrogen bond donor(s) and 6 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 (Z)-methyl 4-((3-(2-hydroxy-6-oxocyclohex-1-en-1-yl)-3-oxoprop-1-en-1-yl)amino)benzoate?
The CAS number of (Z)-methyl 4-((3-(2-hydroxy-6-oxocyclohex-1-en-1-yl)-3-oxoprop-1-en-1-yl)amino)benzoate is 374705-07-4.
What is the molecular formula of (Z)-methyl 4-((3-(2-hydroxy-6-oxocyclohex-1-en-1-yl)-3-oxoprop-1-en-1-yl)amino)benzoate?
The molecular formula of (Z)-methyl 4-((3-(2-hydroxy-6-oxocyclohex-1-en-1-yl)-3-oxoprop-1-en-1-yl)amino)benzoate is C17H17NO5.
What is the molecular weight of (Z)-methyl 4-((3-(2-hydroxy-6-oxocyclohex-1-en-1-yl)-3-oxoprop-1-en-1-yl)amino)benzoate?
The molecular weight of (Z)-methyl 4-((3-(2-hydroxy-6-oxocyclohex-1-en-1-yl)-3-oxoprop-1-en-1-yl)amino)benzoate is 315.11 g/mol.
Where can I buy (Z)-methyl 4-((3-(2-hydroxy-6-oxocyclohex-1-en-1-yl)-3-oxoprop-1-en-1-yl)amino)benzoate?
You can request a quote for (Z)-methyl 4-((3-(2-hydroxy-6-oxocyclohex-1-en-1-yl)-3-oxoprop-1-en-1-yl)amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-methyl 4-((3-(2-hydroxy-6-oxocyclohex-1-en-1-yl)-3-oxoprop-1-en-1-yl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 4-((3-(2-hydroxy-6-oxocyclohex-1-en-1-yl)-3-oxoprop-1-en-1-yl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.