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CAS 61535-47-5 N-alpha-Cbz-D-tryptophanol molecular structure lightbox
CAS RN: 61535-47-5

N-alpha-Cbz-D-tryptophanol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250219 50mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS61535-47-5
  • Purity/Analytical Methods: >99.0%
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61535-47-5 / benzyl N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate

Standard CAS: 61535-47-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
61535-47-5
Multi CAS
No
Molecular Formula
C19H20N2O3
Molecular Weight
324.400000
Exact Mass
324.147393
InChI
InChI=1S/C19H20N2O3/c22-12-16(10-15-11-20-18-9-5-4-8-17(15)18)21-19(23)24-13-14-6-2-1-3-7-14/h1-9,11,16,20,22H,10,12-13H2,(H,21,23)/t16-/m1/s1
InChIKey
LUYGYUGZSGMKOX-MRXNPFEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
15
Fraction Csp3
0.21
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
3
Molar refractivity
92.64
TPSA
74.35

LogP / Solubility

WLOGP
3
MLOGP
2.65
XLogP3
2.9
Consensus LogP
2.85
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.98
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57

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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