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CAS 1363380-94-2 1-Boc-3-(Cbz-amino)azetidine-3-methanol molecular structure lightbox
CAS RN: 1363380-94-2

1-Boc-3-(Cbz-amino)azetidine-3-methanol

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250821 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1363380-94-2
  • Purity/Analytical Methods: >99.0%
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1363380-94-2 / tert-butyl 3-(hydroxymethyl)-3-(phenylmethoxycarbonylamino)azetidine-1-carboxylate

Standard CAS: 1363380-94-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1363380-94-2
Multi CAS
No
Molecular Formula
C17H24N2O5
Molecular Weight
336.400000
Exact Mass
336.168522
SMILES
CC(C)(C)OC(=O)N1CC(C1)(CO)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C17H24N2O5/c1-16(2,3)24-15(22)19-10-17(11-19,12-20)18-14(21)23-9-13-7-5-4-6-8-13/h4-8,20H,9-12H2,1-3H3,(H,18,21)
InChIKey
GEDPXILIQSHPKM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
87.39
TPSA
88.1

LogP / Solubility

WLOGP
1.89
MLOGP
1.68
XLogP3
1.3
Consensus LogP
1.62
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.9
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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