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CAS 1235481-43-2 (R)-1-(3,6-dibroMo-9H-carbazol-9-yl)-3-(3-MethoxyphenylaMino)propan-2-ol molecular structure lightbox
CAS RN: 1235481-43-2

(R)-1-(3,6-dibroMo-9H-carbazol-9-yl)-3-(3-MethoxyphenylaMino)propan-2-ol

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250903 1mg / 5mg / 25mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1235481-43-2
  • Purity/Analytical Methods: >99.0%
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1235481-43-2 / (2R)-1-(3,6-dibromocarbazol-9-yl)-3-(3-methoxyanilino)propan-2-ol

Standard CAS: 1235481-43-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1235481-43-2
Multi CAS
No
Molecular Formula
C22H20Br2N2O2
Molecular Weight
504.200000
Exact Mass
503.987100
SMILES
COC1=CC=CC(=C1)NC[C@H](CN2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br)O
InChI
InChI=1S/C22H20Br2N2O2/c1-28-18-4-2-3-16(11-18)25-12-17(27)13-26-21-7-5-14(23)9-19(21)20-10-15(24)6-8-22(20)26/h2-11,17,25,27H,12-13H2,1H3/t17-/m0/s1
InChIKey
LEICNUMXFWNCSJ-KRWDZBQOSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
19
Fraction Csp3
0.18
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
122.33
TPSA
46.42

LogP / Solubility

WLOGP
5.8
MLOGP
5.14
XLogP3
5.7
Consensus LogP
5.55
Log S (ESOL)
-6.73
Class (ESOL)
Insoluble
Log S (Ali)
-7.88
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.47
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.68

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
3.5

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