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CAS 371240-55-0 (S)-3-(Toluene-4-sulfonyloxy)-pyrrolidine-1-carboxylic acid tert-butyl ester molecular structure lightbox
CAS RN: 371240-55-0

(S)-3-(Toluene-4-sulfonyloxy)-pyrrolidine-1-carboxylic acid tert-butyl ester

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250812 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS371240-55-0
  • Purity/Analytical Methods: >99.0%
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371240-55-0 / tert-butyl 3-(4-methylphenyl)sulfonyloxypyrrolidine-1-carboxylate

Standard CAS: 371240-55-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
371240-55-0
Multi CAS
Yes
Molecular Formula
C16H23NO5S
Molecular Weight
341.400000
Exact Mass
341.129694
InChI
InChI=1S/C16H23NO5S/c1-12-5-7-14(8-6-12)23(19,20)22-13-9-10-17(11-13)15(18)21-16(2,3)4/h5-8,13H,9-11H2,1-4H3/t13-/m0/s1
InChIKey
MWACHFODPQVXHF-ZDUSSCGKSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
85.66
TPSA
72.91

LogP / Solubility

WLOGP
2.71
MLOGP
2.4
XLogP3
2.7
Consensus LogP
2.6
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.49
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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