CAS RN: 653589-37-8
(2S,4R)-FMOC-4-HYDROXYPIPERIDINE-2-CARBOXYLIC ACID
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260324 | 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS653589-37-8
- Purity/Analytical Methods: >99.0%
653589-37-8 / (2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-hydroxypiperidine-2-carboxylic acid
Basic Information
CAS
653589-37-8
Multi CAS
Yes
Molecular Formula
C21H21NO5
Molecular Weight
367.400000
Exact Mass
367.141973
InChI
InChI=1S/C21H21NO5/c23-13-9-10-22(19(11-13)20(24)25)21(26)27-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18-19,23H,9-12H2,(H,24,25)/t13-,19+/m1/s1
InChIKey
CJGSLUBWMLBOFZ-YJYMSZOUSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
98.44
TPSA
87.07
LogP / Solubility
WLOGP
2.85
MLOGP
2.52
XLogP3
2.7
Consensus LogP
2.69
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.77
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.94
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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