C21H23ClN2O4
TL;DR: C21H23ClN2O4 (CAS 1052526-66-5) is a chemical compound with molecular formula C21H23ClN2O4 and molecular weight 402.13464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-dimethyl-5-(12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-3-ylidene)-1,3-dioxane-4,6-dione;hydrochloride
Also Known As: 2,2-dimethyl-5-(8-methyl-3a,4,5,6-tetrahydro-1H-pyrazino[3,2,1-jk]carbazol-2(3H)-ylidene)-1,3-dioxane-4,6-dione hydrochloride
Technical Specifications
| Molecular Formula | C21H23ClN2O4 |
| Molecular Weight | 402.13464 g/mol |
| XLogP | 3.44232 |
| Topological Polar Surface Area (TPSA) | 69.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 402.13464 Da |
| Heavy Atoms | 28 |
| Complexity | 693.0 |
| SMILES | CC1=CC2=C(C=C1)N3CC(=C4C(=O)OC(OC4=O)(C)C)NC5C3=C2CCC5.Cl |
| InChIKey | FQWYMVOMDPELOL-UHFFFAOYSA-N |
Chemical Property Profile of C21H23ClN2O4
Property Insights of C21H23ClN2O4
The XLogP value of 3.44232 indicates that C21H23ClN2O4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for C21H23ClN2O4. Following Lipinski's Rule of Five, C21H23ClN2O4 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C21H23ClN2O4?
The CAS number of C21H23ClN2O4 is 1052526-66-5.
What is the molecular formula of C21H23ClN2O4?
The molecular formula of C21H23ClN2O4 is C21H23ClN2O4.
What is the molecular weight of C21H23ClN2O4?
The molecular weight of C21H23ClN2O4 is 402.13464 g/mol.
Where can I buy C21H23ClN2O4?
You can request a quote for C21H23ClN2O4 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C21H23ClN2O4?
Yes, CoreyChem provides custom synthesis services for C21H23ClN2O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.