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CAS 732278-52-3 BDZ-g,GYKI 47409 molecular structure lightbox
CAS RN: 732278-52-3

BDZ-g,GYKI 47409

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260307 10mg / 25mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS732278-52-3
  • Purity/Analytical Methods: >99.0%
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732278-52-3 / 2-methyl-4-[(8R)-8-methyl-7-(5-methyl-1,3,4-thiadiazol-2-yl)-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl]aniline

Standard CAS: 732278-52-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
732278-52-3
Multi CAS
Yes
Molecular Formula
C21H21N5O2S
Molecular Weight
407.500000
Exact Mass
407.141596
InChI
InChI=1S/C21H21N5O2S/c1-11-6-14(4-5-17(11)22)20-16-9-19-18(27-10-28-19)8-15(16)7-12(2)26(25-20)21-24-23-13(3)29-21/h4-6,8-9,12H,7,10,22H2,1-3H3/t12-/m1/s1
InChIKey
DBDUGNPURSLMPS-GFCCVEGCSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
17
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
8
H-bond donors
1
Molar refractivity
114.09
TPSA
85.86

LogP / Solubility

WLOGP
3.67
MLOGP
3.25
XLogP3
4.6
Consensus LogP
3.84
Log S (ESOL)
-4.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.59
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.6

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
4

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