3-(4-Chloro-phenylamino)-6,7-dimethoxy-3H-isobenzofuran-1-one
TL;DR: 3-(4-Chloro-phenylamino)-6,7-dimethoxy-3H-isobenzofuran-1-one (CAS 332849-70-4) is a chemical compound with molecular formula C16H14ClNO4 and molecular weight 319.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chloroanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
Also Known As: BAS 01836493, 3-(4-Chloro-phenylamino)-6,7-dimethoxy-3H-isobenzofuran-1-one, 3-(4-chloroanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one, 3-((4-chlorophenyl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one, 3-[(4-chlorophenyl)amino]-6,7-dimethoxy-2-benzofuran-1(3H)-one
| Molecular Formula | C16H14ClNO4 |
|---|---|
| Molecular Weight | 319.06 g/mol |
| LogP | 3.6383 |
| Topological Polar Surface Area | 56.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.06113 |
| Heavy Atoms | 22 |
| Complexity | 714.8309 |
Chemical Identifiers
| CAS Number | 332849-70-4 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C(OC2=O)NC3=CC=C(C=C3)Cl)OC |
Product Overview
3-(4-Chloro-phenylamino)-6,7-dimethoxy-3H-isobenzofuran-1-one (CAS 332849-70-4), with molecular formula C16H14ClNO4 and molecular weight 319.06 g/mol. IUPAC: 3-(4-chloroanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one.
Chemical Property Profile of 3-(4-Chloro-phenylamino)-6,7-dimethoxy-3H-isobenzofuran-1-one
Property Insights of 3-(4-Chloro-phenylamino)-6,7-dimethoxy-3H-isobenzofuran-1-one
The XLogP value of 3.6383 indicates that 3-(4-Chloro-phenylamino)-6,7-dimethoxy-3H-isobenzofuran-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.79 Ų, 3-(4-Chloro-phenylamino)-6,7-dimethoxy-3H-isobenzofuran-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chloro-phenylamino)-6,7-dimethoxy-3H-isobenzofuran-1-one has 1 hydrogen bond donor(s) and 5 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-(4-Chloro-phenylamino)-6,7-dimethoxy-3H-isobenzofuran-1-one?
The CAS number of 3-(4-Chloro-phenylamino)-6,7-dimethoxy-3H-isobenzofuran-1-one is 332849-70-4.
What is the molecular formula of 3-(4-Chloro-phenylamino)-6,7-dimethoxy-3H-isobenzofuran-1-one?
The molecular formula of 3-(4-Chloro-phenylamino)-6,7-dimethoxy-3H-isobenzofuran-1-one is C16H14ClNO4.
What is the molecular weight of 3-(4-Chloro-phenylamino)-6,7-dimethoxy-3H-isobenzofuran-1-one?
The molecular weight of 3-(4-Chloro-phenylamino)-6,7-dimethoxy-3H-isobenzofuran-1-one is 319.06 g/mol.
Where can I buy 3-(4-Chloro-phenylamino)-6,7-dimethoxy-3H-isobenzofuran-1-one?
You can request a quote for 3-(4-Chloro-phenylamino)-6,7-dimethoxy-3H-isobenzofuran-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chloro-phenylamino)-6,7-dimethoxy-3H-isobenzofuran-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chloro-phenylamino)-6,7-dimethoxy-3H-isobenzofuran-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.