4-Chloronaphthalene-1,8-dicarboximide
TL;DR: 4-Chloronaphthalene-1,8-dicarboximide (CAS 39061-32-0) is a chemical compound with molecular formula C12H6ClNO2 and molecular weight 231.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chlorobenzo[de]isoquinoline-1,3-dione
Also Known As: 4-Chloronaphthalimide, 6-chloro-1H-benzo[de]isoquinoline-1,3(2H)-dione, 4-chloronaphthalene-1,8-dicarboximide, 6-chlorobenzo[de]isoquinoline-1,3-dione, 4-Chloro-1,8-naphthalenedicarboximide
| Molecular Formula | C12H6ClNO2 |
|---|---|
| Molecular Weight | 231.01 g/mol |
| LogP | 2.3768 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 231.00871 |
| Heavy Atoms | 16 |
| Complexity | 628.50397 |
Chemical Identifiers
| CAS Number | 39061-32-0 |
|---|---|
| SMILES | C1=CC2=C(C=CC3=C2C(=C1)C(=O)NC3=O)Cl |
Product Overview
4-Chloronaphthalene-1,8-dicarboximide (CAS 39061-32-0), with molecular formula C12H6ClNO2 and molecular weight 231.01 g/mol. IUPAC: 6-chlorobenzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of 4-Chloronaphthalene-1,8-dicarboximide
Property Insights of 4-Chloronaphthalene-1,8-dicarboximide
The XLogP value of 2.3768 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloronaphthalene-1,8-dicarboximide. With a topological polar surface area (TPSA) of 46.17 Ų, 4-Chloronaphthalene-1,8-dicarboximide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloronaphthalene-1,8-dicarboximide has 1 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-Chloronaphthalene-1,8-dicarboximide?
The CAS number of 4-Chloronaphthalene-1,8-dicarboximide is 39061-32-0.
What is the molecular formula of 4-Chloronaphthalene-1,8-dicarboximide?
The molecular formula of 4-Chloronaphthalene-1,8-dicarboximide is C12H6ClNO2.
What is the molecular weight of 4-Chloronaphthalene-1,8-dicarboximide?
The molecular weight of 4-Chloronaphthalene-1,8-dicarboximide is 231.01 g/mol.
Where can I buy 4-Chloronaphthalene-1,8-dicarboximide?
You can request a quote for 4-Chloronaphthalene-1,8-dicarboximide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloronaphthalene-1,8-dicarboximide?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloronaphthalene-1,8-dicarboximide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.