CAS RN: 887401-93-6
INCB 3284 diMesylate
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251217 | 10mg / 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS887401-93-6
- Purity/Analytical Methods: >99.0%
887401-93-6 / N-[2-[[(3R)-1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;methanesulfonic acid
Basic Information
CAS
887401-93-6
Multi CAS
Yes
Molecular Formula
C28F3H39N4O10S2
Molecular Weight
712.800000
Exact Mass
712.205970
InChI
InChI=1S/C26H31F3N4O4.2CH4O3S/c1-37-23-6-5-19(14-30-23)25(36)10-7-21(8-11-25)33-12-9-20(16-33)32-22(34)15-31-24(35)17-3-2-4-18(13-17)26(27,28)29;2*1-5(2,3)4/h2-6,13-14,20-21,36H,7-12,15-16H2,1H3,(H,31,35)(H,32,34);2*1H3,(H,2,3,4)/t20-,21?,25?;;/m1../s1
InChIKey
PNPNUHKICDECDH-SEBNIYPMSA-N
Computed Properties
Structural Parameters
Heavy atom count
47
Aromatic heavy atom count
12
Fraction Csp3
0.54
Rotatable bonds
7
H-bond acceptors
10
H-bond donors
5
Molar refractivity
163.78
TPSA
212.53
LogP / Solubility
WLOGP
1.87
MLOGP
1.71
XLogP3
1.87
Consensus LogP
1.82
Log S (ESOL)
-5.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.75
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.68
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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