CAS RN: 147859-80-1
CA-074 ME
Product Availability
Choose a grade to view its available package options.
9 package records9 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260115 | 5mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS147859-80-1
- Purity/Analytical Methods: >99.0%
147859-80-1 / methyl (2S)-1-[(2S,3S)-3-methyl-2-[[(2S,3S)-3-(propylcarbamoyl)oxirane-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxylate
Basic Information
CAS
147859-80-1
Multi CAS
No
Molecular Formula
C19H31N3O6
Molecular Weight
397.500000
Exact Mass
397.221286
SMILES
CCCNC(=O)[C@@H]1[C@H](O1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)OC
InChI
InChI=1S/C19H31N3O6/c1-5-9-20-16(23)14-15(28-14)17(24)21-13(11(3)6-2)18(25)22-10-7-8-12(22)19(26)27-4/h11-15H,5-10H2,1-4H3,(H,20,23)(H,21,24)/t11-,12-,13-,14-,15-/m0/s1
InChIKey
XGWSRLSPWIEMLQ-YTFOTSKYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Fraction Csp3
0.79
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
2
Molar refractivity
100.1
TPSA
117.34
LogP / Solubility
WLOGP
-0.03
XLogP3
1.2
Consensus LogP
0.39
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.3
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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