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CAS 358970-97-5 Drinabant molecular structure lightbox
CAS RN: 358970-97-5

Drinabant

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Batchno.20260505 5mg / 25mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS358970-97-5
  • Purity/Analytical Methods: >99.0%
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358970-97-5 / N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-N-(3,5-difluorophenyl)methanesulfonamide

Standard CAS: 358970-97-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
358970-97-5
Multi CAS
No
Molecular Formula
C23H20CL2F2N2O2S
Molecular Weight
497.400000
Exact Mass
496.059061
InChI
InChI=1S/C23H20Cl2F2N2O2S/c1-32(30,31)29(21-11-19(26)10-20(27)12-21)22-13-28(14-22)23(15-2-6-17(24)7-3-15)16-4-8-18(25)9-5-16/h2-12,22-23H,13-14H2,1H3
InChIKey
IQQBRKLVEALROM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.22
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
123.79
TPSA
40.62

LogP / Solubility

WLOGP
5.51
MLOGP
4.89
XLogP3
5.6
Consensus LogP
5.33
Log S (ESOL)
-6.42
Class (ESOL)
Insoluble
Log S (Ali)
-7.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.19
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
Yes
Log Kp (skin permeation)
-1.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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