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CAS 129186-29-4 gidazepam molecular structure lightbox
CAS RN: 129186-29-4

gidazepam

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Batchno.20260328 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS129186-29-4
  • Purity/Analytical Methods: >99.0%
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129186-29-4 / 2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetohydrazide

Standard CAS: 129186-29-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
129186-29-4
Multi CAS
No
Molecular Formula
C17H15BrN4O2
Molecular Weight
387.200000
Exact Mass
386.037840
SMILES
C1C(=O)N(C2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3)CC(=O)NN
InChI
InChI=1S/C17H15BrN4O2/c18-12-6-7-14-13(8-12)17(11-4-2-1-3-5-11)20-9-16(24)22(14)10-15(23)21-19/h1-8H,9-10,19H2,(H,21,23)
InChIKey
XLGCMZLSEXRBSG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
95.77
TPSA
87.79

LogP / Solubility

WLOGP
1.62
MLOGP
1.45
XLogP3
1.7
Consensus LogP
1.59
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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