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CAS 1276477-91-8 “1,3-Bis(9H-carbazol-4-yloxy)-2-propanol(Carvedilol Impurity)” molecular structure lightbox
CAS RN: 1276477-91-8

“1,3-Bis(9H-carbazol-4-yloxy)-2-propanol(Carvedilol Impurity)”

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250521 1mg / 5mg / 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1276477-91-8
  • Purity/Analytical Methods: >99.0%
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1276477-91-8 / 1,3-bis(9H-carbazol-4-yloxy)propan-2-ol

Standard CAS: 1276477-91-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1276477-91-8
Multi CAS
No
Molecular Formula
C27H22N2O3
Molecular Weight
422.500000
Exact Mass
422.163043
SMILES
C1=CC=C2C(=C1)C3=C(N2)C=CC=C3OCC(COC4=CC=CC5=C4C6=CC=CC=C6N5)O
InChI
InChI=1S/C27H22N2O3/c30-17(15-31-24-13-5-11-22-26(24)18-7-1-3-9-20(18)28-22)16-32-25-14-6-12-23-27(25)19-8-2-4-10-21(19)29-23/h1-14,17,28-30H,15-16H2
InChIKey
QYSFAJDXMJPYOM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
26
Fraction Csp3
0.11
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
3
Molar refractivity
128.61
TPSA
70.27

LogP / Solubility

WLOGP
5.77
MLOGP
5.11
XLogP3
6.4
Consensus LogP
5.76
Log S (ESOL)
-6.3
Class (ESOL)
Insoluble
Log S (Ali)
-7.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.92
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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