![1,2-Benzenedicarboxylic acid, mono(1,3,3-trimethylbicyclo[2.2.1]hept-2-yl) ester, (1S-exo)- structure](/static/products/5752/57526-41-7.webp)
1,2-Benzenedicarboxylic acid, mono(1,3,3-trimethylbicyclo[2.2.1]hept-2-yl) ester, (1S-exo)-
TL;DR: 1,2-Benzenedicarboxylic acid, mono(1,3,3-trimethylbicyclo[2.2.1]hept-2-yl) ester, (1S-exo)- (CAS 57526-41-7) is a chemical compound with molecular formula C18H22O4 and molecular weight 302.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxycarbonyl]benzoic acid
Also Known As: 1,2-Benzenedicarboxylic acid, mono(1,3,3-trimethylbicyclo[2.2.1]hept-2-yl) ester, (1S-exo)-, 2-({[(1S,2R,4R)-1,3,3-Trimethylbicyclo[2.2.1]heptan-2-yl]oxy}carbonyl)benzoic acid
| Molecular Formula | C18H22O4 |
|---|---|
| Molecular Weight | 302.15 g/mol |
| LogP | 3.7564 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.1518 |
| Heavy Atoms | 22 |
| Complexity | 628.97437 |
Chemical Identifiers
| CAS Number | 57526-41-7 |
|---|---|
| SMILES | C[C@]12CC[C@H](C1)C([C@@H]2OC(=O)C3=CC=CC=C3C(=O)O)(C)C |
Product Overview
1,2-Benzenedicarboxylic acid, mono(1,3,3-trimethylbicyclo[2.2.1]hept-2-yl) ester, (1S-exo)- (CAS 57526-41-7), with molecular formula C18H22O4 and molecular weight 302.15 g/mol. IUPAC: 2-[[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxycarbonyl]benzoic acid.
Chemical Property Profile of 1,2-Benzenedicarboxylic acid, mono(1,3,3-trimethylbicyclo[2.2.1]hept-2-yl) ester, (1S-exo)-
Property Insights of 1,2-Benzenedicarboxylic acid, mono(1,3,3-trimethylbicyclo[2.2.1]hept-2-yl) ester, (1S-exo)-
The XLogP value of 3.7564 indicates that 1,2-Benzenedicarboxylic acid, mono(1,3,3-trimethylbicyclo[2.2.1]hept-2-yl) ester, (1S-exo)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzenedicarboxylic acid, mono(1,3,3-trimethylbicyclo[2.2.1]hept-2-yl) ester, (1S-exo)-. Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid, mono(1,3,3-trimethylbicyclo[2.2.1]hept-2-yl) ester, (1S-exo)- 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 1,2-Benzenedicarboxylic acid, mono(1,3,3-trimethylbicyclo[2.2.1]hept-2-yl) ester, (1S-exo)-?
The CAS number of 1,2-Benzenedicarboxylic acid, mono(1,3,3-trimethylbicyclo[2.2.1]hept-2-yl) ester, (1S-exo)- is 57526-41-7.
What is the molecular formula of 1,2-Benzenedicarboxylic acid, mono(1,3,3-trimethylbicyclo[2.2.1]hept-2-yl) ester, (1S-exo)-?
The molecular formula of 1,2-Benzenedicarboxylic acid, mono(1,3,3-trimethylbicyclo[2.2.1]hept-2-yl) ester, (1S-exo)- is C18H22O4.
What is the molecular weight of 1,2-Benzenedicarboxylic acid, mono(1,3,3-trimethylbicyclo[2.2.1]hept-2-yl) ester, (1S-exo)-?
The molecular weight of 1,2-Benzenedicarboxylic acid, mono(1,3,3-trimethylbicyclo[2.2.1]hept-2-yl) ester, (1S-exo)- is 302.15 g/mol.
Where can I buy 1,2-Benzenedicarboxylic acid, mono(1,3,3-trimethylbicyclo[2.2.1]hept-2-yl) ester, (1S-exo)-?
You can request a quote for 1,2-Benzenedicarboxylic acid, mono(1,3,3-trimethylbicyclo[2.2.1]hept-2-yl) ester, (1S-exo)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzenedicarboxylic acid, mono(1,3,3-trimethylbicyclo[2.2.1]hept-2-yl) ester, (1S-exo)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarboxylic acid, mono(1,3,3-trimethylbicyclo[2.2.1]hept-2-yl) ester, (1S-exo)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.