![Benzoic acid, 4-[(6-isopropoxycarbonyl-3-cyclohexenyl)carbonylamino]- structure](/static/products/5768/5768-69-4.webp)
Benzoic acid, 4-[(6-isopropoxycarbonyl-3-cyclohexenyl)carbonylamino]-
TL;DR: Benzoic acid, 4-[(6-isopropoxycarbonyl-3-cyclohexenyl)carbonylamino]- (CAS 5768-69-4) is a chemical compound with molecular formula C18H21NO5 and molecular weight 331.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(6-propan-2-yloxycarbonylcyclohex-3-ene-1-carbonyl)amino]benzoic acid
Also Known As: Benzoic acid, 4-[(6-isopropoxycarbonyl-3-cyclohexenyl)carbonylamino]-, 4-[(6-propan-2-yloxycarbonylcyclohex-3-ene-1-carbonyl)amino]benzoic acid, 4-({6-[(methylethyl)oxycarbonyl]cyclohex-3-enyl}carbonylamino)benzoic acid, 4-(([6-(Isopropoxycarbonyl)-3-cyclohexen-1-yl]carbonyl)amino)benzoic acid #, 4-(6-{[(Propan-2-yl)oxy]carbonyl}cyclohex-3-ene-1-carboxamido)benzoic acid
| Molecular Formula | C18H21NO5 |
|---|---|
| Molecular Weight | 331.14 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.14197 |
| Heavy Atoms | 24 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 5768-69-4 |
|---|---|
| SMILES | CC(C)OC(=O)C1CC=CCC1C(=O)NC2=CC=C(C=C2)C(=O)O |
| InChIKey | VMOYXGOCFZCCQF-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-[(6-isopropoxycarbonyl-3-cyclohexenyl)carbonylamino]- (CAS 5768-69-4), with molecular formula C18H21NO5 and molecular weight 331.14 g/mol. IUPAC: 4-[(6-propan-2-yloxycarbonylcyclohex-3-ene-1-carbonyl)amino]benzoic acid.
Chemical Property Profile of Benzoic acid, 4-[(6-isopropoxycarbonyl-3-cyclohexenyl)carbonylamino]-
Property Insights of Benzoic acid, 4-[(6-isopropoxycarbonyl-3-cyclohexenyl)carbonylamino]-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-[(6-isopropoxycarbonyl-3-cyclohexenyl)carbonylamino]-. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-[(6-isopropoxycarbonyl-3-cyclohexenyl)carbonylamino]-. Following Lipinski's Rule of Five, Benzoic acid, 4-[(6-isopropoxycarbonyl-3-cyclohexenyl)carbonylamino]- has 2 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 Benzoic acid, 4-[(6-isopropoxycarbonyl-3-cyclohexenyl)carbonylamino]-?
The CAS number of Benzoic acid, 4-[(6-isopropoxycarbonyl-3-cyclohexenyl)carbonylamino]- is 5768-69-4.
What is the molecular formula of Benzoic acid, 4-[(6-isopropoxycarbonyl-3-cyclohexenyl)carbonylamino]-?
The molecular formula of Benzoic acid, 4-[(6-isopropoxycarbonyl-3-cyclohexenyl)carbonylamino]- is C18H21NO5.
What is the molecular weight of Benzoic acid, 4-[(6-isopropoxycarbonyl-3-cyclohexenyl)carbonylamino]-?
The molecular weight of Benzoic acid, 4-[(6-isopropoxycarbonyl-3-cyclohexenyl)carbonylamino]- is 331.14 g/mol.
Where can I buy Benzoic acid, 4-[(6-isopropoxycarbonyl-3-cyclohexenyl)carbonylamino]-?
You can request a quote for Benzoic acid, 4-[(6-isopropoxycarbonyl-3-cyclohexenyl)carbonylamino]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-[(6-isopropoxycarbonyl-3-cyclohexenyl)carbonylamino]-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-[(6-isopropoxycarbonyl-3-cyclohexenyl)carbonylamino]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.