trans-2-(4-Hydroxycyclohexyl)-isoindole-1,3-dione
TL;DR: trans-2-(4-Hydroxycyclohexyl)-isoindole-1,3-dione (CAS 4965-33-7) is a chemical compound with molecular formula C14H15NO3 and molecular weight 245.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-hydroxycyclohexyl)isoindole-1,3-dione
Also Known As: 4-(Phthalimide)cyclohexanol, 2-(4-hydroxycyclohexyl)isoindoline-1,3-dione, 2-(trans-4-Hydroxycyclohexyl)isoindoline-1,3-dione, 7-Chloroquinaldine, 2-(trans-4-Hydroxycyclohexyl)-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C14H15NO3 |
|---|---|
| Molecular Weight | 245.11 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 245.1052 |
| Heavy Atoms | 18 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 4965-33-7 |
|---|---|
| SMILES | C1CC(CCC1N2C(=O)C3=CC=CC=C3C2=O)O |
| InChIKey | YLHCMDNAKVPTIO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
trans-2-(4-Hydroxycyclohexyl)-isoindole-1,3-dione (CAS 4965-33-7), with molecular formula C14H15NO3 and molecular weight 245.11 g/mol. IUPAC: 2-(4-hydroxycyclohexyl)isoindole-1,3-dione.
Chemical Property Profile of trans-2-(4-Hydroxycyclohexyl)-isoindole-1,3-dione
Property Insights of trans-2-(4-Hydroxycyclohexyl)-isoindole-1,3-dione
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-2-(4-Hydroxycyclohexyl)-isoindole-1,3-dione. With a topological polar surface area (TPSA) of 57.6 Ų, trans-2-(4-Hydroxycyclohexyl)-isoindole-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-2-(4-Hydroxycyclohexyl)-isoindole-1,3-dione 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 trans-2-(4-Hydroxycyclohexyl)-isoindole-1,3-dione?
The CAS number of trans-2-(4-Hydroxycyclohexyl)-isoindole-1,3-dione is 4965-33-7.
What is the molecular formula of trans-2-(4-Hydroxycyclohexyl)-isoindole-1,3-dione?
The molecular formula of trans-2-(4-Hydroxycyclohexyl)-isoindole-1,3-dione is C14H15NO3.
What is the molecular weight of trans-2-(4-Hydroxycyclohexyl)-isoindole-1,3-dione?
The molecular weight of trans-2-(4-Hydroxycyclohexyl)-isoindole-1,3-dione is 245.11 g/mol.
Where can I buy trans-2-(4-Hydroxycyclohexyl)-isoindole-1,3-dione?
You can request a quote for trans-2-(4-Hydroxycyclohexyl)-isoindole-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-2-(4-Hydroxycyclohexyl)-isoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for trans-2-(4-Hydroxycyclohexyl)-isoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.