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CAS 650579-82-1 tert-Butyl 4-[4-(chloroMethyl)thiazol-2-yl]piperidine-1-carboxylate molecular structure lightbox
CAS RN: 650579-82-1

tert-Butyl 4-[4-(chloroMethyl)thiazol-2-yl]piperidine-1-carboxylate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260617 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS650579-82-1
  • Purity/Analytical Methods: >99.0%
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650579-82-1 / tert-butyl 4-[4-(chloromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate

Standard CAS: 650579-82-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
650579-82-1
Multi CAS
No
Molecular Formula
C14H21CLN2O2S
Molecular Weight
316.800000
Exact Mass
316.101227
InChI
InChI=1S/C14H21ClN2O2S/c1-14(2,3)19-13(18)17-6-4-10(5-7-17)12-16-11(8-15)9-20-12/h9-10H,4-8H2,1-3H3
InChIKey
OISDRMFIITXOTB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
5
Fraction Csp3
0.71
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
81.45
TPSA
42.43

LogP / Solubility

WLOGP
4
MLOGP
3.53
XLogP3
2.8
Consensus LogP
3.44
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.28
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
No
Log Kp (skin permeation)
-1.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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