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CAS 1883545-47-8 I-BET 151 hydrochloride molecular structure lightbox
CAS RN: 1883545-47-8

I-BET 151 hydrochloride

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250113 10mg In stock Inquiry
Batchno.20250914 25mg In stock Inquiry
Batchno.20250518 50mg In stock Inquiry
Batchno.20250318 5mg In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260118 5mg / 50mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1883545-47-8
  • Purity/Analytical Methods: >99.0%
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1883545-47-8 / 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one;dihydrochloride

Standard CAS: 1883545-47-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1883545-47-8
Multi CAS
No
Molecular Formula
C23H23Cl2N5O3
Molecular Weight
488.400000
Exact Mass
487.117795
SMILES
CC1=C(C(=NO1)C)C2=C(C=C3C(=C2)N=CC4=C3N(C(=O)N4)[C@H](C)C5=CC=CC=N5)OC.Cl.Cl
InChI
InChI=1S/C23H21N5O3.2ClH/c1-12-21(14(3)31-27-12)16-9-18-15(10-20(16)30-4)22-19(11-25-18)26-23(29)28(22)13(2)17-7-5-6-8-24-17;;/h5-11,13H,1-4H3,(H,26,29);2*1H/t13-;;/m1../s1
InChIKey
UFLKDZBLUNJNJS-FFXKMJQXSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
24
Fraction Csp3
0.22
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
1
Molar refractivity
131.93
TPSA
98.83

LogP / Solubility

WLOGP
5.01
MLOGP
4.44
XLogP3
5.01
Consensus LogP
4.82
Log S (ESOL)
-6.3
Class (ESOL)
Insoluble
Log S (Ali)
-7.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.47
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.14

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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