N-(羟甲基)-3,4,5,6-四氢邻苯二甲酰亚胺
TL;DR: N-(羟甲基)-3,4,5,6-四氢邻苯二甲酰亚胺 (CAS 4887-42-7) is a chemical compound with molecular formula C9H11NO3 and molecular weight 181.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(羟甲基)-3,4,5,6-四氢邻苯二甲酰亚胺
2-(hydroxymethyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
Also Known As: N-Hydroxymethyl-3,4,5,6-tetrahydrophthalimide, HMTHP, N-Hydroxymethyltetrahydrophthalimide, 518662_ALDRICH, 2-(hydroxymethyl)-4,5,6,7-tetrahydro-1h-isoindole-1,3(2h)-dione
| Molecular Formula | C9H11NO3 |
|---|---|
| Molecular Weight | 181.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.0739 |
| Heavy Atoms | 13 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 4887-42-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=O)N(C2=O)CO |
| InChIKey | QQHOVRKETYPQHY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(羟甲基)-3,4,5,6-四氢邻苯二甲酰亚胺 (CAS 4887-42-7), with molecular formula C9H11NO3 and molecular weight 181.07 g/mol. IUPAC: 2-(hydroxymethyl)-4,5,6,7-tetrahydroisoindole-1,3-dione.
Chemical Property Profile of N-(羟甲基)-3,4,5,6-四氢邻苯二甲酰亚胺
Property Insights of N-(羟甲基)-3,4,5,6-四氢邻苯二甲酰亚胺
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(羟甲基)-3,4,5,6-四氢邻苯二甲酰亚胺. With a topological polar surface area (TPSA) of 57.6 Ų, N-(羟甲基)-3,4,5,6-四氢邻苯二甲酰亚胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(羟甲基)-3,4,5,6-四氢邻苯二甲酰亚胺 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 N-(羟甲基)-3,4,5,6-四氢邻苯二甲酰亚胺?
The CAS number of N-(羟甲基)-3,4,5,6-四氢邻苯二甲酰亚胺 is 4887-42-7.
What is the molecular formula of N-(羟甲基)-3,4,5,6-四氢邻苯二甲酰亚胺?
The molecular formula of N-(羟甲基)-3,4,5,6-四氢邻苯二甲酰亚胺 is C9H11NO3.
What is the molecular weight of N-(羟甲基)-3,4,5,6-四氢邻苯二甲酰亚胺?
The molecular weight of N-(羟甲基)-3,4,5,6-四氢邻苯二甲酰亚胺 is 181.07 g/mol.
Where can I buy N-(羟甲基)-3,4,5,6-四氢邻苯二甲酰亚胺?
You can request a quote for N-(羟甲基)-3,4,5,6-四氢邻苯二甲酰亚胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(羟甲基)-3,4,5,6-四氢邻苯二甲酰亚胺?
Yes, KEHONG BIO provides custom synthesis services for N-(羟甲基)-3,4,5,6-四氢邻苯二甲酰亚胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.