1-Chloro-7,12-pleiadenedione
TL;DR: 1-Chloro-7,12-pleiadenedione (CAS 397-50-2) is a chemical compound with molecular formula C18H9ClO2 and molecular weight 292.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloropleiadene-7,12-dione
Also Known As: 1-chloro-7,12-pleiadenedione, 7, 1-chloro-, 1-chloropleiadene-7,12-dione, 1-Chlor-pleiaden-7,12-dion, 7,12-Pleiadenedione,6-chloro-
| Molecular Formula | C18H9ClO2 |
|---|---|
| Molecular Weight | 292.03 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 292.0291 |
| Heavy Atoms | 21 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 397-50-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=CC=CC4=C3C(=C(C=C4)Cl)C2=O |
| InChIKey | KSURUOCVQMGISN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-7,12-pleiadenedione (CAS 397-50-2), with molecular formula C18H9ClO2 and molecular weight 292.03 g/mol. IUPAC: 1-chloropleiadene-7,12-dione.
Chemical Property Profile of 1-Chloro-7,12-pleiadenedione
Property Insights of 1-Chloro-7,12-pleiadenedione
The XLogP value of 4.7 indicates that 1-Chloro-7,12-pleiadenedione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 1-Chloro-7,12-pleiadenedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-7,12-pleiadenedione 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 1-Chloro-7,12-pleiadenedione?
The CAS number of 1-Chloro-7,12-pleiadenedione is 397-50-2.
What is the molecular formula of 1-Chloro-7,12-pleiadenedione?
The molecular formula of 1-Chloro-7,12-pleiadenedione is C18H9ClO2.
What is the molecular weight of 1-Chloro-7,12-pleiadenedione?
The molecular weight of 1-Chloro-7,12-pleiadenedione is 292.03 g/mol.
Where can I buy 1-Chloro-7,12-pleiadenedione?
You can request a quote for 1-Chloro-7,12-pleiadenedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-7,12-pleiadenedione?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-7,12-pleiadenedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.