RefChem:558178
TL;DR: RefChem:558178 (CAS 61900-99-0) is a chemical compound with molecular formula C34H21ClN2O2 and molecular weight 524.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-14-(7-oxo-2-propan-2-ylbenzo[a]phenalen-3-yl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one
Also Known As: Anthra(1,9-cd)pyrazol-6(2H)-one, 9-chloro-2-(2-(1-methylethyl)-7-oxo-7H-benz(de)anthracen-3-yl)-, Anthra[1,9-cd]pyrazol-6(2H)-one, 9-chloro-2-[2-(1-methylethyl)-7-oxo-7H-benz[de]anthracen-3-yl]-, 9-chloro-2-[2-isopropyl-7-oxo-7H-benz[de]-3-anthryl]anthra[1,9-cd]pyrazol-6(2H)-one, 9-Chloro-2-[2-(1-methylethyl)-7-oxo-7H-benz[de]anthracen-3-yl]anthra[1,9-cd]pyrazol-6(2H)-one, 9-Chloro-2-(2-isopropyl-7-oxo-7H-benz(de)-3-anthryl)anthra(1,9-cd)pyrazol-6(2H)-one
| Molecular Formula | C34H21ClN2O2 |
|---|---|
| Molecular Weight | 524.13 g/mol |
| LogP | 8.5 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 524.12915 |
| Heavy Atoms | 39 |
| Complexity | 1000.0 |
Chemical Identifiers
| CAS Number | 61900-99-0 |
|---|---|
| SMILES | CC(C)C1=C(C2=C3C(=CC=C2)C(=O)C4=CC=CC=C4C3=C1)N5C6=CC=CC7=C6C(=N5)C8=C(C7=O)C=CC(=C8)Cl |
| InChIKey | HQYKQKYCFCRGGW-UHFFFAOYSA-N |
Product Overview
RefChem:558178 (CAS 61900-99-0), with molecular formula C34H21ClN2O2 and molecular weight 524.13 g/mol. IUPAC: 4-chloro-14-(7-oxo-2-propan-2-ylbenzo[a]phenalen-3-yl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one.
Chemical Property Profile of RefChem:558178
Property Insights of RefChem:558178
The XLogP value of 8.5 indicates that RefChem:558178 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.0 Ų, RefChem:558178 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:558178 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:558178?
The CAS number of RefChem:558178 is 61900-99-0.
What is the molecular formula of RefChem:558178?
The molecular formula of RefChem:558178 is C34H21ClN2O2.
What is the molecular weight of RefChem:558178?
The molecular weight of RefChem:558178 is 524.13 g/mol.
Where can I buy RefChem:558178?
You can request a quote for RefChem:558178 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:558178?
Yes, KEHONG BIO provides custom synthesis services for RefChem:558178 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.