C21H22N4OS
TL;DR: C21H22N4OS (CAS 522659-91-2) is a chemical compound with molecular formula C21H22N4OS and molecular weight 378.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-hydroxy-9,11,11-trimethyl-9-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)iminothiourea
Also Known As: (1E)-4,4,6-trimethyl-6-phenyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione 1-thiosemicarbazone, (E)-2-(4,4,6-trimethyl-2-oxo-6-phenyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-1-ylidene)hydrazinecarbothioamide, (2E)-2-(4,4,6-trimethyl-2-oxo-6-phenyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene)hydrazinecarbothioamide, 2-[4,4,6-TRIMETHYL-2-OXO-6-PHENYL-5,6-DIHYDRO-4H-PYRROLO[3,2,1-IJ]QUINOLIN-1(2H)-YLIDEN]-1-HYDRAZINECARBOTHIOAMIDE
| Molecular Formula | C21H22N4OS |
|---|---|
| Molecular Weight | 378.15 g/mol |
| LogP | 5.119 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 378.15143 |
| Heavy Atoms | 27 |
| Complexity | 1084.5048 |
Chemical Identifiers
| CAS Number | 522659-91-2 |
|---|---|
| SMILES | CC1(CC(C2=CC=CC3=C2N1C(=C3N=NC(=S)N)O)(C)C4=CC=CC=C4)C |
Product Overview
C21H22N4OS (CAS 522659-91-2), with molecular formula C21H22N4OS and molecular weight 378.15 g/mol. IUPAC: (2-hydroxy-9,11,11-trimethyl-9-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)iminothiourea.
Chemical Property Profile of C21H22N4OS
Property Insights of C21H22N4OS
The XLogP value of 5.119 indicates that C21H22N4OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for C21H22N4OS. Following Lipinski's Rule of Five, C21H22N4OS has 2 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 C21H22N4OS?
The CAS number of C21H22N4OS is 522659-91-2.
What is the molecular formula of C21H22N4OS?
The molecular formula of C21H22N4OS is C21H22N4OS.
What is the molecular weight of C21H22N4OS?
The molecular weight of C21H22N4OS is 378.15 g/mol.
Where can I buy C21H22N4OS?
You can request a quote for C21H22N4OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H22N4OS?
Yes, KEHONG BIO provides custom synthesis services for C21H22N4OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.