[email protected]
CAS 2173112-50-8 {1-[(tert-butoxy)carbonyl]piperidin-4-yl}methyl 4-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate molecular structure lightbox
CAS RN: 2173112-50-8

{1-[(tert-butoxy)carbonyl]piperidin-4-yl}methyl 4-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250430 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS2173112-50-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

2173112-50-8 / [1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl 4-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate

Standard CAS: 2173112-50-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2173112-50-8
Multi CAS
No
Molecular Formula
C18H31FN2O5
Molecular Weight
374.400000
Exact Mass
374.221700
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)COC(=O)N2CCC(CC2)(CO)F
InChI
InChI=1S/C18H31FN2O5/c1-17(2,3)26-16(24)20-8-4-14(5-9-20)12-25-15(23)21-10-6-18(19,13-22)7-11-21/h14,22H,4-13H2,1-3H3
InChIKey
RAYAQVWUFOCJOI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.89
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
93.61
TPSA
79.31

LogP / Solubility

WLOGP
2.57
MLOGP
2.28
XLogP3
1.8
Consensus LogP
2.22
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.58
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us