CAS RN: 1351522-05-8
AC-710 Mesylate
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.20251103 | 2mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1351522-05-8
- Purity/Analytical Methods: >99.0%
1351522-05-8 / N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)oxypyridine-2-carboxamide;methanesulfonic acid
Basic Information
CAS
1351522-05-8
Multi CAS
No
Molecular Formula
C32H46N6O7S
Molecular Weight
658.800000
Exact Mass
658.314869
SMILES
CCN1C(CC(CC1(C)C)OC2=CN=C(C=C2)C(=O)NC3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C)(C)C.CS(=O)(=O)O
InChI
InChI=1S/C31H42N6O4.CH4O3S/c1-9-37-30(5,6)17-23(18-31(37,7)8)40-22-14-15-24(32-19-22)27(38)33-20-10-12-21(13-11-20)34-28(39)35-26-16-25(41-36-26)29(2,3)4;1-5(2,3)4/h10-16,19,23H,9,17-18H2,1-8H3,(H,33,38)(H2,34,35,36,39);1H3,(H,2,3,4)
InChIKey
AUMMSMBRVDYUME-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
46
Aromatic heavy atom count
17
Fraction Csp3
0.5
Rotatable bonds
7
H-bond acceptors
9
H-bond donors
4
Molar refractivity
178.14
TPSA
175.99
LogP / Solubility
WLOGP
6.19
MLOGP
5.5
XLogP3
6.19
Consensus LogP
5.96
Log S (ESOL)
-7.63
Class (ESOL)
Insoluble
Log S (Ali)
-9.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.92
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)
-2.35
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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