氯甲基邻苯二甲酰亚胺
TL;DR: 氯甲基邻苯二甲酰亚胺 (CAS 17564-64-6) is a chemical compound with molecular formula C9H6ClNO2 and molecular weight 195.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯甲基邻苯二甲酰亚胺
2-(chloromethyl)isoindole-1,3-dione
Also Known As: N-(Chloromethyl)phthalimide, 2-(Chloromethyl)isoindoline-1,3-dione, Chloromethylphthalimide, N-Chloromethylphthalimide, N-Chloromethyltrimellitimide
| Molecular Formula | C9H6ClNO2 |
|---|---|
| Molecular Weight | 195.01 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.00871 |
| Heavy Atoms | 13 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 17564-64-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CCl |
| InChIKey | JKGLRGGCGUQNEX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯甲基邻苯二甲酰亚胺 (CAS 17564-64-6), with molecular formula C9H6ClNO2 and molecular weight 195.01 g/mol. IUPAC: 2-(chloromethyl)isoindole-1,3-dione.
Chemical Property Profile of 氯甲基邻苯二甲酰亚胺
Property Insights of 氯甲基邻苯二甲酰亚胺
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氯甲基邻苯二甲酰亚胺. With a topological polar surface area (TPSA) of 37.4 Ų, 氯甲基邻苯二甲酰亚胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯甲基邻苯二甲酰亚胺 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 氯甲基邻苯二甲酰亚胺?
The CAS number of 氯甲基邻苯二甲酰亚胺 is 17564-64-6.
What is the molecular formula of 氯甲基邻苯二甲酰亚胺?
The molecular formula of 氯甲基邻苯二甲酰亚胺 is C9H6ClNO2.
What is the molecular weight of 氯甲基邻苯二甲酰亚胺?
The molecular weight of 氯甲基邻苯二甲酰亚胺 is 195.01 g/mol.
Where can I buy 氯甲基邻苯二甲酰亚胺?
You can request a quote for 氯甲基邻苯二甲酰亚胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯甲基邻苯二甲酰亚胺?
Yes, KEHONG BIO provides custom synthesis services for 氯甲基邻苯二甲酰亚胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.