![CAS 864685-38-1 7-Fluoro-4-methoxy-benzo[b]-thiophene-2-carboxylic acid, methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/864685-38-1.gif)
CAS RN: 864685-38-1
7-Fluoro-4-methoxy-benzo[b]-thiophene-2-carboxylic acid, methyl ester
- Product code: SSC-195539
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞95% | 0 Out of Stock | Shanghai | Inquiry |
864685-38-1 / methyl 3-amino-7-fluoro-4-methoxy-1-benzothiophene-2-carboxylate
Basic Information
CAS
864685-38-1
Multi CAS
Yes
Molecular Formula
C11FH10NO3S
Molecular Weight
255.270000
Exact Mass
255.036543
InChI
InChI=1S/C11H10FNO3S/c1-15-6-4-3-5(12)9-7(6)8(13)10(17-9)11(14)16-2/h3-4H,13H2,1-2H3
InChIKey
IGVMGBHVBWDXRP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
64.09
TPSA
61.55
LogP / Solubility
WLOGP
2.42
MLOGP
2.13
XLogP3
3.1
Consensus LogP
2.55
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
5-(3′-HYDROXYPHENYL)-PYRIDINE-3-CARBOXAMIDE
- CAS RN: 864685-40-5
- Product Code: starshine_CAS864685-40-5
- Purity/Analytical method: >99.0%
-
2-[methyl(piperidin-4-yl)amino]ethanol(SALTDATA: 2HCl)
- CAS RN: 864710-80-5
- Product Code: SSC-195541
-
2-Propenoic acid, 1,1′-[(1E)-1,2-diazenediylbis(4,1-phenyleneoxy-9,1-nonanediyl)] ester
- CAS RN: 864711-37-5
- Product Code: SSC-195542
-
2-[(4-formylphenoxy)methyl]benzonitrile
- CAS RN: 864718-38-7
- Product Code: starshine_CAS864718-38-7
- Purity/Analytical method: >99.0%
-
SequoseMpervirin B
- CAS RN: 864719-17-5
- Product Code: starshine_CAS864719-17-5
- Purity/Analytical method: >99.0%
-
SequoseMpervirin D
- CAS RN: 864719-19-7
- Product Code: starshine_CAS864719-19-7
- Purity/Analytical method: >99.0%
![CAS 864710-80-5 2-[methyl(piperidin-4-yl)amino]ethanol(SALTDATA: 2HCl) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/864710-80-5.gif)
![CAS 864711-37-5 2-Propenoic acid, 1,1′-[(1E)-1,2-diazenediylbis(4,1-phenyleneoxy-9,1-nonanediyl)] ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/864711-37-5.gif)
![CAS 864718-38-7 2-[(4-formylphenoxy)methyl]benzonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/864718-38-7.gif)
