CAS RN: 1159840-61-5
Gardiquimod trifluoroacetate
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250720 | 100mg | Out of stock | Inquiry | |
| Batchno.20250517 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251126 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250221 | 25mg | In stock | Wuhan | Inquiry |
| Batchno.20251128 | 50mg | Out of stock | Inquiry | |
| Batchno.20260216 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1159840-61-5
- Purity/Analytical Methods: >99.0%
1159840-61-5 / 1-[4-amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;bis(2,2,2-trifluoroacetic acid)
Gardiquimod trifluoroacetate?
Basic Information
CAS
1159840-61-5
Multi CAS
Yes
Molecular Formula
C21H25F6N5O5
Molecular Weight
541.400000
Exact Mass
541.175988
SMILES
CCNCC1=NC2=C(N1CC(C)(C)O)C3=CC=CC=C3N=C2N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C17H23N5O.2C2HF3O2/c1-4-19-9-13-21-14-15(22(13)10-17(2,3)23)11-7-5-6-8-12(11)20-16(14)18;2*3-2(4,5)1(6)7/h5-8,19,23H,4,9-10H2,1-3H3,(H2,18,20);2*(H,6,7)
InChIKey
XFQPQSJDMJVOBN-UHFFFAOYSA-N
Synonyms
Gardiquimod trifluoroacetate?
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
13
Fraction Csp3
0.43
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
5
Molar refractivity
120.51
TPSA
163.59
LogP / Solubility
WLOGP
3.31
MLOGP
2.96
XLogP3
3.31
Consensus LogP
3.19
Log S (ESOL)
-5.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.39
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.53
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
Customers Also Viewed
-
-
2-Cyclopropyl-5,6,7,8-tetrahydro-pyrido[3,4-d]pyrimidine
- CAS RN: 1159882-43-5
- Product Code: SSC-015987
-
1-(4-fluorophenyl)but-3-en-1-aMine
- CAS RN: 1159883-05-2
- Product Code: starshine_CAS1159883-05-2
- Purity/Analytical method: >99.0%
-
Abiesadine N
- CAS RN: 1159913-80-0
- Product Code: starshine_CAS1159913-80-0
- Purity/Analytical method: >99.0%
-
TAT 2-4
- CAS RN: 1159916-66-1
- Product Code: starshine_CAS1159916-66-1
- Purity/Analytical method: >99.0%
-
![CAS 1159882-43-5 2-Cyclopropyl-5,6,7,8-tetrahydro-pyrido[3,4-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1159882-43-5.gif)
