![CAS 1200443-21-5 3-(4-chlorophenylsulfonyl)-N,N-diethyl-7,8-diMethoxy-[1,2,3]triazolo[1,5-a]quinazolin-5-aMine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1200443-21-5.gif)
CAS RN: 1200443-21-5
3-(4-chlorophenylsulfonyl)-N,N-diethyl-7,8-diMethoxy-[1,2,3]triazolo[1,5-a]quinazolin-5-aMine
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250602 | 5mg / 10mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1200443-21-5
- Purity/Analytical Methods: >99.0%
1200443-21-5 / 3-(4-chlorophenyl)sulfonyl-N,N-diethyl-7,8-dimethoxytriazolo[1,5-a]quinazolin-5-amine
3-(4-chlorophenylsulfonyl)-N,N-diethyl-7,8-dimethoxy-[1,2,3]triazolo[1,5-a]quinazolin-5-amine | 3-((4-chlorophenyl)sulfonyl)-N,N-diethyl-7,8-dimethoxy-[1,2,3]triazolo[1,5-a]quinazolin-5-amine | QC-993
Basic Information
CAS
1200443-21-5
Multi CAS
Yes
Molecular Formula
C21H22ClN5O4S
Molecular Weight
475.900000
Exact Mass
475.108103
SMILES
CCN(CC)C1=NC2=C(N=NN2C3=CC(=C(C=C31)OC)OC)S(=O)(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C21H22ClN5O4S/c1-5-26(6-2)19-15-11-17(30-3)18(31-4)12-16(15)27-20(23-19)21(24-25-27)32(28,29)14-9-7-13(22)8-10-14/h7-12H,5-6H2,1-4H3
InChIKey
TYNZGYMGTTUYKZ-UHFFFAOYSA-N
Synonyms
3-(4-chlorophenylsulfonyl)-N,N-diethyl-7,8-dimethoxy-[1,2,3]triazolo[1,5-a]quinazolin-5-amine
3-((4-chlorophenyl)sulfonyl)-N,N-diethyl-7,8-dimethoxy-[1,2,3]triazolo[1,5-a]quinazolin-5-amine
QC-993
Targocil?
C21H22ClN5O4S
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
19
Fraction Csp3
0.29
Rotatable bonds
7
H-bond acceptors
9
Molar refractivity
121.86
TPSA
98.92
LogP / Solubility
WLOGP
3.63
MLOGP
3.22
XLogP3
4
Consensus LogP
3.62
Log S (ESOL)
-5.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.6
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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