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CAS 1029711-88-3 Rafigrelide molecular structure lightbox
CAS RN: 1029711-88-3

Rafigrelide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250802 25mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1029711-88-3
  • Purity/Analytical Methods: >99.0%
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1029711-88-3 / 6,7-dichloro-3,3-dimethyl-1,5-dihydroimidazo[2,1-b]quinazolin-2-one

Rafigrelide | V8Q1Z0GK92 | 6,7-Dichloro-3,3-dimethyl-5,10-dihydroimidazo[2,1-b]quinazolin-2(3H)-one

Standard CAS: 1029711-88-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1029711-88-3
Multi CAS
No
Molecular Formula
C12H11Cl2N3O
Molecular Weight
284.140000
Exact Mass
283.027917
SMILES
CC1(C(=O)NC2=NC3=C(CN21)C(=C(C=C3)Cl)Cl)C
InChI
InChI=1S/C12H11Cl2N3O/c1-12(2)10(18)16-11-15-8-4-3-7(13)9(14)6(8)5-17(11)12/h3-4H,5H2,1-2H3,(H,15,16,18)
InChIKey
IGMDPBNGNRHCRW-UHFFFAOYSA-N
Synonyms
Rafigrelide V8Q1Z0GK92 6,7-Dichloro-3,3-dimethyl-5,10-dihydroimidazo[2,1-b]quinazolin-2(3H)-one DTXSID30145594 6,7-Dichloro-3,3-dimethyl-5,10-dihydroimidazo(2,1-b)quinazolin-2(3H)-one

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.32
TPSA
44.7

LogP / Solubility

WLOGP
2.7
MLOGP
2.39
XLogP3
2.2
Consensus LogP
2.43
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.84
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264, P270, P271, P273, P301+P317, P304+P340, P317, P330, P391, and P501

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