CAS RN: 362503-73-9

RBC10

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Batchno.20251003 1mg / 5mg / 10mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS362503-73-9
  • Purity/Analytical Methods: >99.0%
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362503-73-9 / 6-(2-chlorophenyl)-5-pentanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

Standard CAS: 362503-73-9 Multi CAS: Yes

Basic Information

CAS
362503-73-9
Multi CAS
Yes
Molecular Formula
C24H25CLN2O2
Molecular Weight
408.900000
Exact Mass
408.160456
InChI
InChI=1S/C24H25ClN2O2/c1-2-3-15-22(29)27-20-13-7-6-11-18(20)26-19-12-8-14-21(28)23(19)24(27)16-9-4-5-10-17(16)25/h4-7,9-11,13,24,26H,2-3,8,12,14-15H2,1H3
InChIKey
XERBEDAMDXRGFD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
117.15
TPSA
49.41

LogP / Solubility

WLOGP
6.04
MLOGP
5.34
XLogP3
4.8
Consensus LogP
5.39
Log S (ESOL)
-6.22
Class (ESOL)
Insoluble
Log S (Ali)
-7.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.81
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-0.93

Drug-likeness / Medicinal Chemistry

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

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