CAS RN: 210304-20-4
TLR7/8 agonist
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260402 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS210304-20-4
- Purity/Analytical Methods: >99.0%
210304-20-4 / 1-(4-aminobutyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
Basic Information
CAS
210304-20-4
Multi CAS
No
Molecular Formula
C17H23N5O
Molecular Weight
313.400000
Exact Mass
313.190260
SMILES
CCOCC1=NC2=C(N1CCCCN)C3=CC=CC=C3N=C2N
InChI
InChI=1S/C17H23N5O/c1-2-23-11-14-21-15-16(22(14)10-6-5-9-18)12-7-3-4-8-13(12)20-17(15)19/h3-4,7-8H,2,5-6,9-11,18H2,1H3,(H2,19,20)
InChIKey
FBFJOZZTIXSPPR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
13
Fraction Csp3
0.41
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
93.06
TPSA
91.98
LogP / Solubility
WLOGP
2.44
MLOGP
2.16
XLogP3
1.1
Consensus LogP
1.9
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.56
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-2.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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