![CAS 1026241-99-5 Methyl 3-aMino-5-chlorobenzo[b]thiophene-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1026241-99-5.gif)
CAS RN: 1026241-99-5
Methyl 3-aMino-5-chlorobenzo[b]thiophene-2-carboxylate
- Product code: SSC-003902
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.05g, 0.1g, 0.25g, 1g, 5g
- Available purity: >95%
- Inventory rows with stock: 8
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.05g | -- | 1 In Stock | Hong Kong | Inquiry |
| 0.05g | >95% | 1 In Stock | Beijing | Inquiry |
| 0.1g | -- | 1 In Stock | Beijing | Inquiry |
| 0.1g | >95% | 1 In Stock | Shanghai | Inquiry |
| 0.25g | -- | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | >95% | 1 In Stock | Beijing | Inquiry |
| 1g | -- | 1 In Stock | Hong Kong | Inquiry |
| 1g | >95% | 1 In Stock | Shanghai | Inquiry |
| 5g | -- | 0 Out of Stock | Hong Kong | Inquiry |
| 5g | >95% | 0 Out of Stock | Shenzhen | Inquiry |
1026241-99-5 / methyl 3-amino-5-chloro-1-benzothiophene-2-carboxylate
Methyl 3-amino-5-chlorobenzo[b]thiophene-2-carboxylate | methyl 3-amino-5-chloro-1-benzothiophene-2-carboxylate | MFCD13689054
Basic Information
CAS
1026241-99-5
Multi CAS
No
Molecular Formula
C10H8ClNO2S
Molecular Weight
241.690000
Exact Mass
240.996427
SMILES
COC(=O)C1=C(C2=C(S1)C=CC(=C2)Cl)N
InChI
InChI=1S/C10H8ClNO2S/c1-14-10(13)9-8(12)6-4-5(11)2-3-7(6)15-9/h2-4H,12H2,1H3
InChIKey
CFYACBCHHBWDOO-UHFFFAOYSA-N
Synonyms
Methyl 3-amino-5-chlorobenzo[b]thiophene-2-carboxylate
methyl 3-amino-5-chloro-1-benzothiophene-2-carboxylate
MFCD13689054
Benzo[b]thiophene-2-carboxylic acid, 3-amino-5-chloro-, methyl ester
SCHEMBL2063500
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
62.59
TPSA
52.32
LogP / Solubility
WLOGP
2.92
MLOGP
2.58
XLogP3
3.6
Consensus LogP
3.03
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
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)
-2.12
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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![CAS 1026353-20-7 Telmisartan Related Compound B (15 mg) (4′-[(1,7′-dimethyl-2′-propyl-1H,1’H-2,5′-bibenzo[d]imidazol-1′-yl)methyl]biphenyl-2-carboxylic acid) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1026353-20-7.gif)
