CAS RN: 1642857-69-9
TLR7-IN-1
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260630 | 10mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1642857-69-9
- Purity/Analytical Methods: >99.0%
1642857-69-9 / 4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine
Basic Information
CAS
1642857-69-9
Multi CAS
No
Molecular Formula
C17H16N6O2
Molecular Weight
336.300000
Exact Mass
336.133474
SMILES
CC1=CC(=NO1)COC2=NC(=NC3=C2N(C=C3)CC4=CC=CC=N4)N
InChI
InChI=1S/C17H16N6O2/c1-11-8-13(22-25-11)10-24-16-15-14(20-17(18)21-16)5-7-23(15)9-12-4-2-3-6-19-12/h2-8H,9-10H2,1H3,(H2,18,20,21)
InChIKey
FVKOYFLAKSGBBV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
20
Fraction Csp3
0.18
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
1
Molar refractivity
90.85
TPSA
104.88
LogP / Solubility
WLOGP
2.33
MLOGP
2.07
XLogP3
1.3
Consensus LogP
1.9
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.38
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)
-3.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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