![CAS 193965-35-4 7-METHOXYBENZO[B]THIOPHENE-2-BORONIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/193965-35-4.gif)
CAS RN: 193965-35-4
7-METHOXYBENZO[B]THIOPHENE-2-BORONIC ACID
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.20260428 | 100mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS193965-35-4
- Purity/Analytical Methods: >99.0%
193965-35-4 / (7-methoxy-1-benzothiophen-2-yl)boronic acid
Basic Information
CAS
193965-35-4
Multi CAS
No
Molecular Formula
C9H9BO3S
Molecular Weight
208.050000
Exact Mass
208.036546
SMILES
B(C1=CC2=C(S1)C(=CC=C2)OC)(O)O
InChI
InChI=1S/C9H9BO3S/c1-13-7-4-2-3-6-5-8(10(11)12)14-9(6)7/h2-5,11-12H,1H3
InChIKey
KRQCXABUOQTMLT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
58.2
TPSA
49.69
LogP / Solubility
WLOGP
0.59
MLOGP
0.52
XLogP3
0.59
Consensus LogP
0.57
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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