5-Chlorocarbonylphthalide
TL;DR: 5-Chlorocarbonylphthalide (CAS 227954-90-7) is a chemical compound with molecular formula C9H5ClO3 and molecular weight 195.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxo-3H-2-benzofuran-5-carbonyl chloride
Also Known As: 5-Chlorocarbonylphthalide, 5-Chlorocarbonylphthalid, 1-OXO-3H-2-BENZOFURAN-5-CARBONYL CHLORIDE, 1-Oxo-phthalan-5-carbonylchlorid, 1-oxo-1,3-dihydro-2-benzofuran-5-carbonyl chloride
| Molecular Formula | C9H5ClO3 |
|---|---|
| Molecular Weight | 195.99 g/mol |
| LogP | 1.736 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.99272 |
| Heavy Atoms | 13 |
| Complexity | 397.84634 |
Chemical Identifiers
| CAS Number | 227954-90-7 |
|---|---|
| SMILES | C1C2=C(C=CC(=C2)C(=O)Cl)C(=O)O1 |
Product Overview
5-Chlorocarbonylphthalide (CAS 227954-90-7), with molecular formula C9H5ClO3 and molecular weight 195.99 g/mol. IUPAC: 1-oxo-3H-2-benzofuran-5-carbonyl chloride.
Chemical Property Profile of 5-Chlorocarbonylphthalide
Property Insights of 5-Chlorocarbonylphthalide
The XLogP value of 1.736 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chlorocarbonylphthalide. With a topological polar surface area (TPSA) of 43.37 Ų, 5-Chlorocarbonylphthalide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chlorocarbonylphthalide has 0 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 5-Chlorocarbonylphthalide?
The CAS number of 5-Chlorocarbonylphthalide is 227954-90-7.
What is the molecular formula of 5-Chlorocarbonylphthalide?
The molecular formula of 5-Chlorocarbonylphthalide is C9H5ClO3.
What is the molecular weight of 5-Chlorocarbonylphthalide?
The molecular weight of 5-Chlorocarbonylphthalide is 195.99 g/mol.
Where can I buy 5-Chlorocarbonylphthalide?
You can request a quote for 5-Chlorocarbonylphthalide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chlorocarbonylphthalide?
Yes, KEHONG BIO provides custom synthesis services for 5-Chlorocarbonylphthalide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.