CAS RN: 394734-77-1
(2S,4S)-BOC-4-CYCLOHEXYL-PYRROLIDINE-2-CARBOXYLIC ACID
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.20250907 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS394734-77-1
- Purity/Analytical Methods: >99.0%
394734-77-1 / (2S,4S)-4-cyclohexyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Basic Information
CAS
394734-77-1
Multi CAS
Yes
Molecular Formula
C16H27NO4
Molecular Weight
297.390000
Exact Mass
297.194008
InChI
InChI=1S/C16H27NO4/c1-16(2,3)21-15(20)17-10-12(9-13(17)14(18)19)11-7-5-4-6-8-11/h11-13H,4-10H2,1-3H3,(H,18,19)/t12-,13+/m1/s1
InChIKey
PVYGHRWCXWTYGS-OLZOCXBDSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
79.05
TPSA
66.84
LogP / Solubility
WLOGP
3.28
MLOGP
2.9
XLogP3
3.9
Consensus LogP
3.36
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.55
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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![CAS 394735-18-3 [1-(CyclobutylMethyl)-2-(MethoxyMethylaMino)-2-oxoethyl]-carbaMic Acid 1,1-DiMethylethyl Ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/394735-18-3.gif)
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