CAS RN: 70968-04-6
SUC-ALA-ALA-PRO-LEU-PNA
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250610 | 10mg | In stock | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS70968-04-6
- Purity/Analytical Methods: >99.0%
70968-04-6 / 4-[[1-[[1-[2-[[4-methyl-1-(4-nitroanilino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
Basic Information
CAS
70968-04-6
Multi CAS
Yes
Molecular Formula
C27H38N6O9
Molecular Weight
590.600000
Exact Mass
590.270027
InChI
InChI=1S/C27H38N6O9/c1-15(2)14-20(25(38)30-18-7-9-19(10-8-18)33(41)42)31-26(39)21-6-5-13-32(21)27(40)17(4)29-24(37)16(3)28-22(34)11-12-23(35)36/h7-10,15-17,20-21H,5-6,11-14H2,1-4H3,(H,28,34)(H,29,37)(H,30,38)(H,31,39)(H,35,36)/t16-,17-,20-,21-/m0/s1
InChIKey
PTHRPHGMGFMCSS-USNOLKROSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
14
H-bond acceptors
8
H-bond donors
5
Molar refractivity
149.93
TPSA
217.15
LogP / Solubility
WLOGP
0.93
MLOGP
0.86
XLogP3
0.5
Consensus LogP
0.76
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.95
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.66
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
6
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