2-(Hydroxymethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
TL;DR: 2-(Hydroxymethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (CAS 136994-91-7) is a chemical compound with molecular formula C9H13NO3 and molecular weight 183.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(hydroxymethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
Also Known As: 2-(hydroxymethyl)hexahydro-1h-isoindole-1,3(2h)-dione, 2-(hydroxymethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione, 1H-ISOINDOLE-1,3(2H)-DIONE,HEXAHYDRO-2-(HYDROXYMETHYL)-
| Molecular Formula | C9H13NO3 |
|---|---|
| Molecular Weight | 183.09 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.08954 |
| Heavy Atoms | 13 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 136994-91-7 |
|---|---|
| SMILES | C1CCC2C(C1)C(=O)N(C2=O)CO |
| InChIKey | ZZFKRCFZZJFVIT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Hydroxymethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (CAS 136994-91-7), with molecular formula C9H13NO3 and molecular weight 183.09 g/mol. IUPAC: 2-(hydroxymethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione.
Chemical Property Profile of 2-(Hydroxymethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
Property Insights of 2-(Hydroxymethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Hydroxymethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione. With a topological polar surface area (TPSA) of 57.6 Ų, 2-(Hydroxymethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Hydroxymethyl)-3a,4,5,6,7,7a-hexahydroisoindole-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 2-(Hydroxymethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The CAS number of 2-(Hydroxymethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione is 136994-91-7.
What is the molecular formula of 2-(Hydroxymethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The molecular formula of 2-(Hydroxymethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione is C9H13NO3.
What is the molecular weight of 2-(Hydroxymethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The molecular weight of 2-(Hydroxymethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione is 183.09 g/mol.
Where can I buy 2-(Hydroxymethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
You can request a quote for 2-(Hydroxymethyl)-3a,4,5,6,7,7a-hexahydroisoindole-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 2-(Hydroxymethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(Hydroxymethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.