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CAS 804476-59-3 6-amino-5-methoxy-2-phenylbenzothiazole molecular structure lightbox
CAS RN: 804476-59-3

6-amino-5-methoxy-2-phenylbenzothiazole

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1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260608 200mg Out of stock 5-7 business days Inquiry
  • Product code: LINA927144
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804476-59-3 / 5-methoxy-2-phenyl-1,3-benzothiazol-6-amine

Standard CAS: 804476-59-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
804476-59-3
Multi CAS
No
Molecular Formula
C14H12N2OS
Molecular Weight
256.320000
Exact Mass
256.067034
InChI
InChI=1S/C14H12N2OS/c1-17-12-8-11-13(7-10(12)15)18-14(16-11)9-5-3-2-4-6-9/h2-8H,15H2,1H3
InChIKey
ADQNDNMFMNSHRB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
76.02
TPSA
48.14

LogP / Solubility

WLOGP
3.55
MLOGP
3.13
XLogP3
3.6
Consensus LogP
3.43
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.52
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.76

Drug-likeness / Medicinal Chemistry

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

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