Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 3-methyl-, (1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester, (1alpha,5alpha,6alpha)-
TL;DR: Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 3-methyl-, (1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester, (1alpha,5alpha,6alpha)- (CAS 98875-10-6) is a chemical compound with molecular formula C17H19NO4 and molecular weight 301.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl (1R,5R,6S)-3-methylbicyclo[3.1.0]hex-2-ene-6-carboxylate
Also Known As: Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 3-methyl-, (1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester, (1alpha,5alpha,6alpha)-, (1,3-Dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)methyl (1R,5R,6S)-3-methylbicyclo[3.1.0]hex-2-ene-6-carboxylate, (1,3-Dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)methyl 3-methylbicyclo[3.1.0]hex-2-ene-6-carboxylate, (1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl (1R,5R,6S)-3-methylbicyclo[3.1.0]hex-3-ene-6-carboxylate
| Molecular Formula | C17H19NO4 |
|---|---|
| Molecular Weight | 301.13 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.1314 |
| Heavy Atoms | 22 |
| Complexity | 617.0 |
Chemical Identifiers
| CAS Number | 98875-10-6 |
|---|---|
| SMILES | CC1=C[C@H]2[C@@H](C1)[C@@H]2C(=O)OCN3C(=O)C4=C(C3=O)CCCC4 |
| InChIKey | JBTGZVNKWJIURS-BFHYXJOUSA-N |
Product Overview
Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 3-methyl-, (1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester, (1alpha,5alpha,6alpha)- (CAS 98875-10-6), with molecular formula C17H19NO4 and molecular weight 301.13 g/mol. IUPAC: (1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl (1R,5R,6S)-3-methylbicyclo[3.1.0]hex-2-ene-6-carboxylate.
Chemical Property Profile of Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 3-methyl-, (1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester, (1alpha,5alpha,6alpha)-
Property Insights of Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 3-methyl-, (1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester, (1alpha,5alpha,6alpha)-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 3-methyl-, (1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester, (1alpha,5alpha,6alpha)-. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 3-methyl-, (1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester, (1alpha,5alpha,6alpha)-. Following Lipinski's Rule of Five, Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 3-methyl-, (1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester, (1alpha,5alpha,6alpha)- has 0 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 Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 3-methyl-, (1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester, (1alpha,5alpha,6alpha)-?
The CAS number of Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 3-methyl-, (1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester, (1alpha,5alpha,6alpha)- is 98875-10-6.
What is the molecular formula of Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 3-methyl-, (1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester, (1alpha,5alpha,6alpha)-?
The molecular formula of Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 3-methyl-, (1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester, (1alpha,5alpha,6alpha)- is C17H19NO4.
What is the molecular weight of Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 3-methyl-, (1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester, (1alpha,5alpha,6alpha)-?
The molecular weight of Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 3-methyl-, (1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester, (1alpha,5alpha,6alpha)- is 301.13 g/mol.
Where can I buy Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 3-methyl-, (1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester, (1alpha,5alpha,6alpha)-?
You can request a quote for Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 3-methyl-, (1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester, (1alpha,5alpha,6alpha)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 3-methyl-, (1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester, (1alpha,5alpha,6alpha)-?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo(3.1.0)hex-2-ene-6-carboxylic acid, 3-methyl-, (1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester, (1alpha,5alpha,6alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.