4-Chloro-N-(3-oxo-1,2-benziodoxol-1(3H)-yl)benzamide
TL;DR: 4-Chloro-N-(3-oxo-1,2-benziodoxol-1(3H)-yl)benzamide (CAS 186298-88-4) is a chemical compound with molecular formula C14H9ClINO3 and molecular weight 400.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-(3-oxo-1λ3,2-benziodoxol-1-yl)benzamide
Also Known As: 4-chloro-N-(3-oxo-1, NCI60_031617, 4-Chloro-N-(3-oxo-1,2-benziodoxol-1(3H)-yl)benzamide, 4-chloro-N-(3-oxo-1$l^{3},2-benziodoxol-1-yl)benzamide, Benzamide,4-chloro-N-(3-oxo-1,2-benziodoxol-1(3H)-yl)-
| Molecular Formula | C14H9ClINO3 |
|---|---|
| Molecular Weight | 400.93 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 400.93158 |
| Heavy Atoms | 20 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 186298-88-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)OI2NC(=O)C3=CC=C(C=C3)Cl |
| InChIKey | XEARNOJGFKQFGY-UHFFFAOYSA-N |
Product Overview
4-Chloro-N-(3-oxo-1,2-benziodoxol-1(3H)-yl)benzamide (CAS 186298-88-4), with molecular formula C14H9ClINO3 and molecular weight 400.93 g/mol. IUPAC: 4-chloro-N-(3-oxo-1λ3,2-benziodoxol-1-yl)benzamide.
Chemical Property Profile of 4-Chloro-N-(3-oxo-1,2-benziodoxol-1(3H)-yl)benzamide
Property Insights of 4-Chloro-N-(3-oxo-1,2-benziodoxol-1(3H)-yl)benzamide
The XLogP value of 3.8 indicates that 4-Chloro-N-(3-oxo-1,2-benziodoxol-1(3H)-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 4-Chloro-N-(3-oxo-1,2-benziodoxol-1(3H)-yl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-N-(3-oxo-1,2-benziodoxol-1(3H)-yl)benzamide has 1 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 4-Chloro-N-(3-oxo-1,2-benziodoxol-1(3H)-yl)benzamide?
The CAS number of 4-Chloro-N-(3-oxo-1,2-benziodoxol-1(3H)-yl)benzamide is 186298-88-4.
What is the molecular formula of 4-Chloro-N-(3-oxo-1,2-benziodoxol-1(3H)-yl)benzamide?
The molecular formula of 4-Chloro-N-(3-oxo-1,2-benziodoxol-1(3H)-yl)benzamide is C14H9ClINO3.
What is the molecular weight of 4-Chloro-N-(3-oxo-1,2-benziodoxol-1(3H)-yl)benzamide?
The molecular weight of 4-Chloro-N-(3-oxo-1,2-benziodoxol-1(3H)-yl)benzamide is 400.93 g/mol.
Where can I buy 4-Chloro-N-(3-oxo-1,2-benziodoxol-1(3H)-yl)benzamide?
You can request a quote for 4-Chloro-N-(3-oxo-1,2-benziodoxol-1(3H)-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-N-(3-oxo-1,2-benziodoxol-1(3H)-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-N-(3-oxo-1,2-benziodoxol-1(3H)-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.