3-chloro-3-phenyl-1-(3H)-isobenzofuranone
TL;DR: 3-chloro-3-phenyl-1-(3H)-isobenzofuranone (CAS 18852-53-4) is a chemical compound with molecular formula C14H9ClO2 and molecular weight 244.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-3-phenyl-2-benzofuran-1-one
Also Known As: 3-chloro-3-phenylphthalide, 3-chloro-3-phenyl-2-benzofuran-1-one, 3-Chloro-3-phenylisobenzofuran-1(3H)-one, 3-chloro-3-phenylisobenzofuranone, 3-chloro-3-phenyl-isobenzofuran-1-one
| Molecular Formula | C14H9ClO2 |
|---|---|
| Molecular Weight | 244.03 g/mol |
| LogP | 3.2969 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.02911 |
| Heavy Atoms | 17 |
| Complexity | 579.7859 |
Chemical Identifiers
| CAS Number | 18852-53-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)Cl |
Product Overview
3-chloro-3-phenyl-1-(3H)-isobenzofuranone (CAS 18852-53-4), with molecular formula C14H9ClO2 and molecular weight 244.03 g/mol. IUPAC: 3-chloro-3-phenyl-2-benzofuran-1-one.
Chemical Property Profile of 3-chloro-3-phenyl-1-(3H)-isobenzofuranone
Property Insights of 3-chloro-3-phenyl-1-(3H)-isobenzofuranone
The XLogP value of 3.2969 indicates that 3-chloro-3-phenyl-1-(3H)-isobenzofuranone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-chloro-3-phenyl-1-(3H)-isobenzofuranone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-3-phenyl-1-(3H)-isobenzofuranone 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 3-chloro-3-phenyl-1-(3H)-isobenzofuranone?
The CAS number of 3-chloro-3-phenyl-1-(3H)-isobenzofuranone is 18852-53-4.
What is the molecular formula of 3-chloro-3-phenyl-1-(3H)-isobenzofuranone?
The molecular formula of 3-chloro-3-phenyl-1-(3H)-isobenzofuranone is C14H9ClO2.
What is the molecular weight of 3-chloro-3-phenyl-1-(3H)-isobenzofuranone?
The molecular weight of 3-chloro-3-phenyl-1-(3H)-isobenzofuranone is 244.03 g/mol.
Where can I buy 3-chloro-3-phenyl-1-(3H)-isobenzofuranone?
You can request a quote for 3-chloro-3-phenyl-1-(3H)-isobenzofuranone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-3-phenyl-1-(3H)-isobenzofuranone?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-3-phenyl-1-(3H)-isobenzofuranone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.