CAS RN: 1816331-66-4
GSK864
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7 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250911 | 1mg / 2mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250414 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260203 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250814 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250912 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20260428 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20260115 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1816331-66-4
- Purity/Analytical Methods: >99.0%
1816331-66-4 / (7S)-1-[(4-fluorophenyl)methyl]-3-N-(4-methoxy-3,5-dimethylphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-4,6-dihydropyrazolo[4,5-c]pyridine-3,7-dicarboxamide
Basic Information
CAS
1816331-66-4
Multi CAS
No
Molecular Formula
C30H31FN6O4
Molecular Weight
558.600000
Exact Mass
558.239082
SMILES
CC1=CC(=CC(=C1OC)C)NC(=O)C2=NN(C3=C2CN(C[C@]3(C)C(=O)N)C(=O)C4=CC=CN4)CC5=CC=C(C=C5)F
InChI
InChI=1S/C30H31FN6O4/c1-17-12-21(13-18(2)25(17)41-4)34-27(38)24-22-15-36(28(39)23-6-5-11-33-23)16-30(3,29(32)40)26(22)37(35-24)14-19-7-9-20(31)10-8-19/h5-13,33H,14-16H2,1-4H3,(H2,32,40)(H,34,38)/t30-/m0/s1
InChIKey
DUCNNEYLFOQFSW-PMERELPUSA-N
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
22
Fraction Csp3
0.27
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
3
Molar refractivity
150.23
TPSA
135.34
LogP / Solubility
WLOGP
3.68
MLOGP
3.28
XLogP3
2.9
Consensus LogP
3.29
Log S (ESOL)
-5.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.18
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)
-3.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5
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