CAS RN: 1627696-51-8
LY-3177833
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.20250219 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1627696-51-8
- Purity/Analytical Methods: >99.0%
1627696-51-8 / (3R)-3-(5-fluoropyrimidin-4-yl)-3-methyl-6-(1H-pyrazol-4-yl)-2H-isoindol-1-one
Basic Information
CAS
1627696-51-8
Multi CAS
No
Molecular Formula
C16H12FN5O
Molecular Weight
309.300000
Exact Mass
309.102588
SMILES
C[C@@]1(C2=C(C=C(C=C2)C3=CNN=C3)C(=O)N1)C4=NC=NC=C4F
InChI
InChI=1S/C16H12FN5O/c1-16(14-13(17)7-18-8-19-14)12-3-2-9(10-5-20-21-6-10)4-11(12)15(23)22-16/h2-8H,1H3,(H,20,21)(H,22,23)/t16-/m1/s1
InChIKey
KNLVLWZENYQYRT-MRXNPFEDSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
17
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
79.93
TPSA
83.56
LogP / Solubility
WLOGP
2.01
MLOGP
1.78
XLogP3
1
Consensus LogP
1.6
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
Class (SILICOS-IT)
Poorly 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)
-3.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
Customers Also Viewed
-
-
-
4-(4-chloro-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethylisoxazole
- CAS RN: 1627721-56-5
- Product Code: SSC-070144
-
tert-butyl 6-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate
- CAS RN: 1627721-59-8
- Product Code: SSC-070145
-
2-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
- CAS RN: 1627721-83-8
- Product Code: SSC-070147
-
1-Methyl-1h-indazol-3-ylboronic acid pinacol ester
- CAS RN: 1627722-97-7
- Product Code: SSC-070149
![CAS 1627721-56-5 4-(4-chloro-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethylisoxazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1627721-56-5.gif)
