六氢-N-苯基邻苯二甲酰亚胺
TL;DR: 六氢-N-苯基邻苯二甲酰亚胺 (CAS 26491-47-4) is a chemical compound with molecular formula C14H15NO2 and molecular weight 229.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
六氢-N-苯基邻苯二甲酰亚胺
2-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
Also Known As: Hexahydro-N-phenylphthalimide, 1,2-Cyclohexanedicarboximide, N-phenyl-, 2-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione, 2-Phenyl-hexahydro-isoindole-1,3-dione, BAS 00431308
| Molecular Formula | C14H15NO2 |
|---|---|
| Molecular Weight | 229.11 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.11028 |
| Heavy Atoms | 17 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 26491-47-4 |
|---|---|
| SMILES | C1CCC2C(C1)C(=O)N(C2=O)C3=CC=CC=C3 |
| InChIKey | RVTANKMKMMBUOZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
六氢-N-苯基邻苯二甲酰亚胺 (CAS 26491-47-4), with molecular formula C14H15NO2 and molecular weight 229.11 g/mol. IUPAC: 2-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione.
Chemical Property Profile of 六氢-N-苯基邻苯二甲酰亚胺
Property Insights of 六氢-N-苯基邻苯二甲酰亚胺
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 六氢-N-苯基邻苯二甲酰亚胺. With a topological polar surface area (TPSA) of 37.4 Ų, 六氢-N-苯基邻苯二甲酰亚胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 六氢-N-苯基邻苯二甲酰亚胺 has 0 hydrogen bond donor(s) and 2 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 六氢-N-苯基邻苯二甲酰亚胺?
The CAS number of 六氢-N-苯基邻苯二甲酰亚胺 is 26491-47-4.
What is the molecular formula of 六氢-N-苯基邻苯二甲酰亚胺?
The molecular formula of 六氢-N-苯基邻苯二甲酰亚胺 is C14H15NO2.
What is the molecular weight of 六氢-N-苯基邻苯二甲酰亚胺?
The molecular weight of 六氢-N-苯基邻苯二甲酰亚胺 is 229.11 g/mol.
Where can I buy 六氢-N-苯基邻苯二甲酰亚胺?
You can request a quote for 六氢-N-苯基邻苯二甲酰亚胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 六氢-N-苯基邻苯二甲酰亚胺?
Yes, KEHONG BIO provides custom synthesis services for 六氢-N-苯基邻苯二甲酰亚胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.