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CAS 917099-02-6 (2R,4S)-FMOC-4-HYDROXYPIPERIDINE-2-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 917099-02-6

(2R,4S)-FMOC-4-HYDROXYPIPERIDINE-2-CARBOXYLIC ACID

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250716 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS917099-02-6
  • Purity/Analytical Methods: >99.0%
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917099-02-6 / (2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-hydroxypiperidine-2-carboxylic acid

Standard CAS: 917099-02-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
917099-02-6
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+/m0/s1
InChIKey
CJGSLUBWMLBOFZ-ORAYPTAESA-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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