7-Chlorophthalide
TL;DR: 7-Chlorophthalide (CAS 70097-45-9) is a chemical compound with molecular formula C8H5ClO2 and molecular weight 168.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-3H-2-benzofuran-1-one
Also Known As: 7-CHLOROPHTHALIDE, 7-Chloroisobenzofuran-1(3H)-one, null, (R)-2-Hexylamine, 7-chloro-3H-2-benzofuran-1-one
| Molecular Formula | C8H5ClO2 |
|---|---|
| Molecular Weight | 168.00 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 167.9978 |
| Heavy Atoms | 11 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 70097-45-9 |
|---|---|
| SMILES | C1C2=C(C(=CC=C2)Cl)C(=O)O1 |
| InChIKey | LLKCTHJTJUDDMG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Chlorophthalide (CAS 70097-45-9), with molecular formula C8H5ClO2 and molecular weight 168.00 g/mol. IUPAC: 7-chloro-3H-2-benzofuran-1-one.
Chemical Property Profile of 7-Chlorophthalide
Property Insights of 7-Chlorophthalide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Chlorophthalide. With a topological polar surface area (TPSA) of 26.3 Ų, 7-Chlorophthalide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Chlorophthalide 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 7-Chlorophthalide?
The CAS number of 7-Chlorophthalide is 70097-45-9.
What is the molecular formula of 7-Chlorophthalide?
The molecular formula of 7-Chlorophthalide is C8H5ClO2.
What is the molecular weight of 7-Chlorophthalide?
The molecular weight of 7-Chlorophthalide is 168.00 g/mol.
Where can I buy 7-Chlorophthalide?
You can request a quote for 7-Chlorophthalide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Chlorophthalide?
Yes, KEHONG BIO provides custom synthesis services for 7-Chlorophthalide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.