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CAS 436088-66-3 2-AMINO-BENZOTHIAZOLE-6-CARBOXYLIC ACID 2-METHOXY-ETHYL ESTER molecular structure lightbox
CAS RN: 436088-66-3

2-AMINO-BENZOTHIAZOLE-6-CARBOXYLIC ACID 2-METHOXY-ETHYL ESTER

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250319 100mg Out of stock Inquiry
Batchno.20250828 1g Out of stock Inquiry
Batchno.20260629 250mg Out of stock Inquiry
  • Product code: starshine_CAS436088-66-3
  • Purity/Analytical Methods: >99.0%
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436088-66-3 / 2-methoxyethyl 2-amino-1,3-benzothiazole-6-carboxylate

Standard CAS: 436088-66-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
436088-66-3
Multi CAS
No
Molecular Formula
C11H12N2O3S
Molecular Weight
252.290000
Exact Mass
252.056863
InChI
InChI=1S/C11H12N2O3S/c1-15-4-5-16-10(14)7-2-3-8-9(6-7)17-11(12)13-8/h2-3,6H,4-5H2,1H3,(H2,12,13)
InChIKey
SRZNIAFAHGDVEJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.27
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
66.19
TPSA
74.44

LogP / Solubility

WLOGP
1.68
MLOGP
1.49
XLogP3
1.7
Consensus LogP
1.62
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.18
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.06

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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