CAS RN: 1190320-40-1
4-Methyl-6-Benzothiazolecarboxylic acid methyl ester
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250418 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1190320-40-1
- Purity/Analytical Methods: >99.0%
1190320-40-1 / methyl 4-methyl-1,3-benzothiazole-6-carboxylate
Methyl 4-methylbenzo[d]thiazole-6-carboxylate | methyl 4-methyl-1,3-benzothiazole-6-carboxylate | 6-Benzothiazolecarboxylic acid, 4-methyl-, methyl ester
Basic Information
CAS
1190320-40-1
Multi CAS
No
Molecular Formula
C10H9NO2S
Molecular Weight
207.250000
Exact Mass
207.035400
SMILES
CC1=CC(=CC2=C1N=CS2)C(=O)OC
InChI
InChI=1S/C10H9NO2S/c1-6-3-7(10(12)13-2)4-8-9(6)11-5-14-8/h3-5H,1-2H3
InChIKey
RNAFTDYJQDFPED-UHFFFAOYSA-N
Synonyms
Methyl 4-methylbenzo[d]thiazole-6-carboxylate
methyl 4-methyl-1,3-benzothiazole-6-carboxylate
6-Benzothiazolecarboxylic acid, 4-methyl-, methyl ester
SCHEMBL30437515
DTXSID10696630
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
55.7
TPSA
39.19
LogP / Solubility
WLOGP
2.39
MLOGP
2.11
XLogP3
2.6
Consensus LogP
2.37
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.11
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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