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CAS 675602-76-3 (S)-1-PYRROLIDIN-2-HYDROXYMETHYLL-2-(N-CBZ-N-METHYL)AMINO-ETHANE molecular structure lightbox
CAS RN: 675602-76-3

(S)-1-PYRROLIDIN-2-HYDROXYMETHYLL-2-(N-CBZ-N-METHYL)AMINO-ETHANE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260126 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS675602-76-3
  • Purity/Analytical Methods: >99.0%
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675602-76-3 / benzyl N-(1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl)-N-methylcarbamate

Standard CAS: 675602-76-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
675602-76-3
Multi CAS
Yes
Molecular Formula
C16H24N2O3
Molecular Weight
292.370000
Exact Mass
292.178693
InChI
InChI=1S/C16H24N2O3/c1-17(15(12-19)11-18-9-5-6-10-18)16(20)21-13-14-7-3-2-4-8-14/h2-4,7-8,15,19H,5-6,9-13H2,1H3/t15-/m0/s1
InChIKey
CQVKXKBHQQPCCC-HNNXBMFYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
80.94
TPSA
53.01

LogP / Solubility

WLOGP
1.71
MLOGP
1.52
XLogP3
1.5
Consensus LogP
1.58
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.7
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)
-3.29

Drug-likeness / Medicinal Chemistry

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

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