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CAS 1253696-17-1 4-[1′-(3′-Azido-1′,2′-propanediol)]carbazole molecular structure lightbox
CAS RN: 1253696-17-1

4-[1′-(3′-Azido-1′,2′-propanediol)]carbazole

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250606 5mg / 25mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1253696-17-1
  • Purity/Analytical Methods: >99.0%
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1253696-17-1 / 1-azido-3-(9H-carbazol-4-yloxy)propan-2-ol

Standard CAS: 1253696-17-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1253696-17-1
Multi CAS
No
Molecular Formula
C15H14N4O2
Molecular Weight
282.300000
Exact Mass
282.111676
SMILES
C1=CC=C2C(=C1)C3=C(N2)C=CC=C3OCC(CN=[N+]=[N-])O
InChI
InChI=1S/C15H14N4O2/c16-19-17-8-10(20)9-21-14-7-3-6-13-15(14)11-4-1-2-5-12(11)18-13/h1-7,10,18,20H,8-9H2
InChIKey
HETBXCZVCSTHDV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
13
Fraction Csp3
0.2
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
81.32
TPSA
94.01

LogP / Solubility

WLOGP
3.37
MLOGP
2.98
XLogP3
4.1
Consensus LogP
3.48
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.89
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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