CAS 108773-00-8 Benzothiazole, 2-chloro-4-methoxy-7-methyl- (9CI) molecular structure

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CAS RN: 108773-00-8

Benzothiazole, 2-chloro-4-methoxy-7-methyl- (9CI)

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4 package records2 with current stock1 grade group

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Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20250308	100mg	Out of stock		Inquiry
Batchno.20260524	1g	Out of stock		Inquiry
Batchno.20250101	250mg	In stock	Tianjin	Inquiry
Batchno.20250113	5g	In stock	Shenzhen, Tianjin	Inquiry

Product code: starshine_CAS108773-00-8
Purity/Analytical Methods: >99.0%

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108773-00-8 / 2-chloro-4-methoxy-7-methyl-1,3-benzothiazole

2-chloro-4-methoxy-7-methyl-1,3-benzothiazole | DTXSID60365965 | RefChem:1062783

Standard CAS: 108773-00-8 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

108773-00-8

Multi CAS

Molecular Formula

C9H8ClNOS

Molecular Weight

213.680000

Exact Mass

213.001513

SMILES

CC1=C2C(=C(C=C1)OC)N=C(S2)Cl

InChI

InChI=1S/C9H8ClNOS/c1-5-3-4-6(12-2)7-8(5)13-9(10)11-7/h3-4H,1-2H3

InChIKey

USZSQTQJFWIVLM-UHFFFAOYSA-N

Synonyms

2-chloro-4-methoxy-7-methyl-1,3-benzothiazole DTXSID60365965 RefChem:1062783 DTXCID60317005 2-Chloro-4-methoxy-7-methyl-benzothiazole

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.22

Rotatable bonds

H-bond acceptors

Molar refractivity

55.92

TPSA

22.12

LogP / Solubility

WLOGP

3.27

MLOGP

2.88

XLogP3

3.7

Consensus LogP

3.28

Log S (ESOL)

-3.67

Class (ESOL)

Poorly soluble

Log S (Ali)

-3.67

Class (Ali)

Poorly soluble

Log S (SILICOS-IT)

-3.88

Class (SILICOS-IT)

Poorly soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-1.7

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

1.5

Benzothiazole, 2-chloro-4-methoxy-7-methyl- (9CI)

Product Availability

108773-00-8 / 2-chloro-4-methoxy-7-methyl-1,3-benzothiazole

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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