9-Azabicyclo(4.2.1)non-2-ene-9-carboxylic acid, 2-(hydroxyacetyl)-, 1,1-dimethylethyl ester, (1R)-
TL;DR: 9-Azabicyclo(4.2.1)non-2-ene-9-carboxylic acid, 2-(hydroxyacetyl)-, 1,1-dimethylethyl ester, (1R)- (CAS 125736-13-2) is a chemical compound with molecular formula C15H23NO4 and molecular weight 281.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (1R)-2-(2-hydroxyacetyl)-9-azabicyclo[4.2.1]non-2-ene-9-carboxylate
Also Known As: 9-Azabicyclo(4.2.1)non-2-ene-9-carboxylic acid, 2-(hydroxyacetyl)-, 1,1-dimethylethyl ester, (1R)-, Tert-butyl (6R)-5-(2-hydroxyacetyl)-9-azabicyclo[4.2.1]non-4-ene-9-carboxylate, tert-Butyl 2-(hydroxyacetyl)-9-azabicyclo[4.2.1]non-2-ene-9-carboxylate, tert-Butyl (1R)-2-(hydroxyacetyl)-9-azabicyclo[4.2.1]non-2-ene-9-carboxylate, TERT-BUTYL METHYL (6R)-9-AZABICYCLO[4.2.1]NON-4-ENE-5,9-DICARBOXYLATE
| Molecular Formula | C15H23NO4 |
|---|---|
| Molecular Weight | 281.16 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.16272 |
| Heavy Atoms | 20 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 125736-13-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1[C@@H]2CCC1CCC=C2C(=O)CO |
| InChIKey | HYZOZBWCGBPEID-TVKKRMFBSA-N |
Product Overview
9-Azabicyclo(4.2.1)non-2-ene-9-carboxylic acid, 2-(hydroxyacetyl)-, 1,1-dimethylethyl ester, (1R)- (CAS 125736-13-2), with molecular formula C15H23NO4 and molecular weight 281.16 g/mol. IUPAC: tert-butyl (1R)-2-(2-hydroxyacetyl)-9-azabicyclo[4.2.1]non-2-ene-9-carboxylate.
Chemical Property Profile of 9-Azabicyclo(4.2.1)non-2-ene-9-carboxylic acid, 2-(hydroxyacetyl)-, 1,1-dimethylethyl ester, (1R)-
Property Insights of 9-Azabicyclo(4.2.1)non-2-ene-9-carboxylic acid, 2-(hydroxyacetyl)-, 1,1-dimethylethyl ester, (1R)-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Azabicyclo(4.2.1)non-2-ene-9-carboxylic acid, 2-(hydroxyacetyl)-, 1,1-dimethylethyl ester, (1R)-. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Azabicyclo(4.2.1)non-2-ene-9-carboxylic acid, 2-(hydroxyacetyl)-, 1,1-dimethylethyl ester, (1R)-. Following Lipinski's Rule of Five, 9-Azabicyclo(4.2.1)non-2-ene-9-carboxylic acid, 2-(hydroxyacetyl)-, 1,1-dimethylethyl ester, (1R)- 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 9-Azabicyclo(4.2.1)non-2-ene-9-carboxylic acid, 2-(hydroxyacetyl)-, 1,1-dimethylethyl ester, (1R)-?
The CAS number of 9-Azabicyclo(4.2.1)non-2-ene-9-carboxylic acid, 2-(hydroxyacetyl)-, 1,1-dimethylethyl ester, (1R)- is 125736-13-2.
What is the molecular formula of 9-Azabicyclo(4.2.1)non-2-ene-9-carboxylic acid, 2-(hydroxyacetyl)-, 1,1-dimethylethyl ester, (1R)-?
The molecular formula of 9-Azabicyclo(4.2.1)non-2-ene-9-carboxylic acid, 2-(hydroxyacetyl)-, 1,1-dimethylethyl ester, (1R)- is C15H23NO4.
What is the molecular weight of 9-Azabicyclo(4.2.1)non-2-ene-9-carboxylic acid, 2-(hydroxyacetyl)-, 1,1-dimethylethyl ester, (1R)-?
The molecular weight of 9-Azabicyclo(4.2.1)non-2-ene-9-carboxylic acid, 2-(hydroxyacetyl)-, 1,1-dimethylethyl ester, (1R)- is 281.16 g/mol.
Where can I buy 9-Azabicyclo(4.2.1)non-2-ene-9-carboxylic acid, 2-(hydroxyacetyl)-, 1,1-dimethylethyl ester, (1R)-?
You can request a quote for 9-Azabicyclo(4.2.1)non-2-ene-9-carboxylic acid, 2-(hydroxyacetyl)-, 1,1-dimethylethyl ester, (1R)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Azabicyclo(4.2.1)non-2-ene-9-carboxylic acid, 2-(hydroxyacetyl)-, 1,1-dimethylethyl ester, (1R)-?
Yes, KEHONG BIO provides custom synthesis services for 9-Azabicyclo(4.2.1)non-2-ene-9-carboxylic acid, 2-(hydroxyacetyl)-, 1,1-dimethylethyl ester, (1R)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.