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CAS 157007-54-0 (R)-1-BOC-2-METHYL-PYRROLIDINE molecular structure lightbox
CAS RN: 157007-54-0

(R)-1-BOC-2-METHYL-PYRROLIDINE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260601 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS157007-54-0
  • Purity/Analytical Methods: >99.0%
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157007-54-0 / tert-butyl (2R)-2-methylpyrrolidine-1-carboxylate

Standard CAS: 157007-54-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
157007-54-0
Multi CAS
No
Molecular Formula
C10H19NO2
Molecular Weight
185.260000
Exact Mass
185.141579
SMILES
C[C@@H]1CCCN1C(=O)OC(C)(C)C
InChI
InChI=1S/C10H19NO2/c1-8-6-5-7-11(8)9(12)13-10(2,3)4/h8H,5-7H2,1-4H3/t8-/m1/s1
InChIKey
PPUYUEPZGGATCN-MRVPVSSYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
51.64
TPSA
29.54

LogP / Solubility

WLOGP
2.41
MLOGP
2.12
XLogP3
2
Consensus LogP
2.18
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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