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CAS 1375471-83-2 2-(8-(tert-butoxycarbonyl)-8-aza-bicyclo[3.2.1]octan-3-yl)acetic acid molecular structure lightbox
CAS RN: 1375471-83-2

2-(8-(tert-butoxycarbonyl)-8-aza-bicyclo[3.2.1]octan-3-yl)acetic acid

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251026 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1375471-83-2
  • Purity/Analytical Methods: >99.0%
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1375471-83-2 / 2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

Standard CAS: 1375471-83-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1375471-83-2
Multi CAS
No
Molecular Formula
C14H23NO4
Molecular Weight
269.340000
Exact Mass
269.162708
SMILES
CC(C)(C)OC(=O)N1C2CCC1CC(C2)CC(=O)O
InChI
InChI=1S/C14H23NO4/c1-14(2,3)19-13(18)15-10-4-5-11(15)7-9(6-10)8-12(16)17/h9-11H,4-8H2,1-3H3,(H,16,17)
InChIKey
HMKCWYNKAMRVGY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
69.86
TPSA
66.84

LogP / Solubility

WLOGP
2.64
MLOGP
2.33
XLogP3
2
Consensus LogP
2.32
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5

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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