CAS RN: 2673270-35-2
(S)-ethyl 2-amino-4-fluoro-4-methylpentanoate (R)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylate
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.20260130 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2673270-35-2
- Purity/Analytical Methods: >99.0%
2673270-35-2 / ethyl (2S)-2-amino-4-fluoro-4-methylpentanoate;(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Basic Information
CAS
2673270-35-2
Multi CAS
No
Molecular Formula
C18H33FN2O6
Molecular Weight
392.500000
Exact Mass
392.232265
SMILES
CCOC(=O)[C@H](CC(C)(C)F)N.CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)O
InChI
InChI=1S/C10H17NO4.C8H16FNO2/c1-10(2,3)15-9(14)11-6-4-5-7(11)8(12)13;1-4-12-7(11)6(10)5-8(2,3)9/h7H,4-6H2,1-3H3,(H,12,13);6H,4-5,10H2,1-3H3/t7-;6-/m10/s1
InChIKey
YVETYYHCXXCGND-MNZRUBAUSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Fraction Csp3
0.83
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
98.01
TPSA
119.16
LogP / Solubility
WLOGP
2.49
MLOGP
2.21
XLogP3
2.49
Consensus LogP
2.4
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.87
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)
-3.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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