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CAS 808756-71-0 N-[(1R)-5-(1,1-Dimethylethyl)-2,3-dihydro-1H-inden-1-yl]-N’-1H-indazol-4-ylurea molecular structure lightbox
CAS RN: 808756-71-0

N-[(1R)-5-(1,1-Dimethylethyl)-2,3-dihydro-1H-inden-1-yl]-N’-1H-indazol-4-ylurea

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250125 1mg / 5mg / 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS808756-71-0
  • Purity/Analytical Methods: >99.0%
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808756-71-0 / 1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea

Standard CAS: 808756-71-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
808756-71-0
Multi CAS
Yes
Molecular Formula
C21H24N4O
Molecular Weight
348.400000
Exact Mass
348.195011
InChI
InChI=1S/C21H24N4O/c1-21(2,3)14-8-9-15-13(11-14)7-10-18(15)24-20(26)23-17-5-4-6-19-16(17)12-22-25-19/h4-6,8-9,11-12,18H,7,10H2,1-3H3,(H,22,25)(H2,23,24,26)/t18-/m1/s1
InChIKey
TYOYXJNGINZFET-GOSISDBHSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
15
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
3
Molar refractivity
104.45
TPSA
69.81

LogP / Solubility

WLOGP
4.67
MLOGP
4.13
XLogP3
4.2
Consensus LogP
4.33
Log S (ESOL)
-5.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.04
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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