4-Chlorophthalide
TL;DR: 4-Chlorophthalide (CAS 52010-22-7) 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.
4-chloro-3H-2-benzofuran-1-one
Also Known As: 4-Chlorophthalide, 4-Chloroisobenzofuran-1(3H)-one, null, 1(3H)-Isobenzofuranone, 4-chloro-, 4-chloro-3H-2-benzofuran-1-one
| Molecular Formula | C8H5ClO2 |
|---|---|
| Molecular Weight | 168.00 g/mol |
| LogP | 2.0104 |
| 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 | 319.86813 |
Chemical Identifiers
| CAS Number | 52010-22-7 |
|---|---|
| SMILES | C1C2=C(C=CC=C2Cl)C(=O)O1 |
Product Overview
4-Chlorophthalide (CAS 52010-22-7), with molecular formula C8H5ClO2 and molecular weight 168.00 g/mol. IUPAC: 4-chloro-3H-2-benzofuran-1-one.
Chemical Property Profile of 4-Chlorophthalide
Property Insights of 4-Chlorophthalide
The XLogP value of 2.0104 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chlorophthalide. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Chlorophthalide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-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 4-Chlorophthalide?
The CAS number of 4-Chlorophthalide is 52010-22-7.
What is the molecular formula of 4-Chlorophthalide?
The molecular formula of 4-Chlorophthalide is C8H5ClO2.
What is the molecular weight of 4-Chlorophthalide?
The molecular weight of 4-Chlorophthalide is 168.00 g/mol.
Where can I buy 4-Chlorophthalide?
You can request a quote for 4-Chlorophthalide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorophthalide?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorophthalide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.