J1.681.797J
TL;DR: J1.681.797J (CAS 263169-32-0) is a chemical compound with molecular formula C19H22N2O4 and molecular weight 342.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl (3aS,6S,6aR)-4-(cyclopropanecarbonyl)-6-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylate
Also Known As: J1.681.797J, benzyl (3aS,6S,6aR)-4-(cyclopropanecarbonyl)-6-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylate, (3abeta,6S,6aalpha)-4-(Cyclopropylcarbonyl)-5-oxo-6beta-methyloctahydropyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester, (3aS,6S,6aR)-4-(Cyclopropylcarbonyl)-5-oxo-6-methyloctahydropyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester, (3aS,6S,6aR)-4-Cyclopropanecarbonyl-6-methyl-5-oxo-hexahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester
| Molecular Formula | C19H22N2O4 |
|---|---|
| Molecular Weight | 342.16 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.15796 |
| Heavy Atoms | 25 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 263169-32-0 |
|---|---|
| SMILES | C[C@H]1[C@@H]2[C@H](CCN2C(=O)OCC3=CC=CC=C3)N(C1=O)C(=O)C4CC4 |
| InChIKey | MMMNLJNOOSIRBL-VBNZEHGJSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
J1.681.797J (CAS 263169-32-0), with molecular formula C19H22N2O4 and molecular weight 342.16 g/mol. IUPAC: benzyl (3aS,6S,6aR)-4-(cyclopropanecarbonyl)-6-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylate.
Chemical Property Profile of J1.681.797J
Property Insights of J1.681.797J
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J1.681.797J. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for J1.681.797J. Following Lipinski's Rule of Five, J1.681.797J 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 J1.681.797J?
The CAS number of J1.681.797J is 263169-32-0.
What is the molecular formula of J1.681.797J?
The molecular formula of J1.681.797J is C19H22N2O4.
What is the molecular weight of J1.681.797J?
The molecular weight of J1.681.797J is 342.16 g/mol.
Where can I buy J1.681.797J?
You can request a quote for J1.681.797J directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.681.797J?
Yes, KEHONG BIO provides custom synthesis services for J1.681.797J and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.