2-Chloro-2,3-dihydronaphthalene-1,4-dione
TL;DR: 2-Chloro-2,3-dihydronaphthalene-1,4-dione (CAS 22485-08-1) is a chemical compound with molecular formula C10H7ClO2 and molecular weight 194.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-2,3-dihydronaphthalene-1,4-dione
Also Known As: 2-chloro-2,3-dihydronaphthalene-1,4-dione, NCIOpen2_001308, 1,4-Naphthalenedione,2-chloro-2,3-dihydro-, 2,4-DIBROMO-6-METHYLPHENYL TRIFLUOROMETHYL SULFOXIDE
| Molecular Formula | C10H7ClO2 |
|---|---|
| Molecular Weight | 194.01 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 194.01346 |
| Heavy Atoms | 13 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 22485-08-1 |
|---|---|
| SMILES | C1C(C(=O)C2=CC=CC=C2C1=O)Cl |
| InChIKey | YFPSHVXMVUFALO-UHFFFAOYSA-N |
Product Overview
2-Chloro-2,3-dihydronaphthalene-1,4-dione (CAS 22485-08-1), with molecular formula C10H7ClO2 and molecular weight 194.01 g/mol. IUPAC: 2-chloro-2,3-dihydronaphthalene-1,4-dione.
Chemical Property Profile of 2-Chloro-2,3-dihydronaphthalene-1,4-dione
Property Insights of 2-Chloro-2,3-dihydronaphthalene-1,4-dione
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-2,3-dihydronaphthalene-1,4-dione. With a topological polar surface area (TPSA) of 34.1 Ų, 2-Chloro-2,3-dihydronaphthalene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-2,3-dihydronaphthalene-1,4-dione 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 2-Chloro-2,3-dihydronaphthalene-1,4-dione?
The CAS number of 2-Chloro-2,3-dihydronaphthalene-1,4-dione is 22485-08-1.
What is the molecular formula of 2-Chloro-2,3-dihydronaphthalene-1,4-dione?
The molecular formula of 2-Chloro-2,3-dihydronaphthalene-1,4-dione is C10H7ClO2.
What is the molecular weight of 2-Chloro-2,3-dihydronaphthalene-1,4-dione?
The molecular weight of 2-Chloro-2,3-dihydronaphthalene-1,4-dione is 194.01 g/mol.
Where can I buy 2-Chloro-2,3-dihydronaphthalene-1,4-dione?
You can request a quote for 2-Chloro-2,3-dihydronaphthalene-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-2,3-dihydronaphthalene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-2,3-dihydronaphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.