CAS RN: 1432793-68-4
1432793-68-4
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.20250206 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1432793-68-4
- Purity/Analytical Methods: >99.0%
1432793-68-4 / (2S)-1-[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidine-2-carboxylic acid
Basic Information
CAS
1432793-68-4
Multi CAS
No
Molecular Formula
C18H32N2O6
Molecular Weight
372.500000
Exact Mass
372.226037
SMILES
C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)OC(C)(C)C)OC(C)(C)C
InChI
InChI=1S/C18H32N2O6/c1-11(25-17(2,3)4)13(19-16(24)26-18(5,6)7)14(21)20-10-8-9-12(20)15(22)23/h11-13H,8-10H2,1-7H3,(H,19,24)(H,22,23)/t11-,12+,13+/m1/s1
InChIKey
WSNKDPVQSFTVBN-AGIUHOORSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Fraction Csp3
0.83
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
95.83
TPSA
105.17
LogP / Solubility
WLOGP
2.16
MLOGP
1.92
XLogP3
1.9
Consensus LogP
1.99
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.47
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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