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CAS 223763-91-5 1-(Boc-aminomethyl)cyclopentanemethanol molecular structure lightbox
CAS RN: 223763-91-5

1-(Boc-aminomethyl)cyclopentanemethanol

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251120 100mg / 250mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS223763-91-5
  • Purity/Analytical Methods: >99.0%
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223763-91-5 / tert-butyl N-[[1-(hydroxymethyl)cyclopentyl]methyl]carbamate

Standard CAS: 223763-91-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
223763-91-5
Multi CAS
No
Molecular Formula
C12H23NO3
Molecular Weight
229.320000
Exact Mass
229.167794
SMILES
CC(C)(C)OC(=O)NCC1(CCCC1)CO
InChI
InChI=1S/C12H23NO3/c1-11(2,3)16-10(15)13-8-12(9-14)6-4-5-7-12/h14H,4-9H2,1-3H3,(H,13,15)
InChIKey
SDHBGLHPHXJZBY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
62.22
TPSA
58.56

LogP / Solubility

WLOGP
2.06
MLOGP
1.82
XLogP3
1.9
Consensus LogP
1.93
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.22
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.65

Drug-likeness / Medicinal Chemistry

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

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