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CAS 771-11-9 5,7-DibroMobenzo[d]thiazol-4-aMine molecular structure lightbox
CAS RN: 771-11-9

5,7-DibroMobenzo[d]thiazol-4-aMine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251030 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS771-11-9
  • Purity/Analytical Methods: >99.0%
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771-11-9 / 5,7-dibromo-1,3-benzothiazol-4-amine

Standard CAS: 771-11-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
771-11-9
Multi CAS
No
Molecular Formula
C7H4BR2N2S
Molecular Weight
308.000000
Exact Mass
307.844150
InChI
InChI=1S/C7H4Br2N2S/c8-3-1-4(9)7-6(5(3)10)11-2-12-7/h1-2H,10H2
InChIKey
GJHULBALZUQYOX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.43
TPSA
38.91

LogP / Solubility

WLOGP
3.4
MLOGP
3.01
XLogP3
3.1
Consensus LogP
3.17
Log S (ESOL)
-4.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.49
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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