CAS RN: 30129-68-1
(5-Methoxy-benzo(b)thiophen-3-yl)acetic 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.20250302 | 50mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS30129-68-1
- Purity/Analytical Methods: >99.0%
30129-68-1 / 2-(5-methoxy-1-benzothiophen-3-yl)acetic acid
Basic Information
CAS
30129-68-1
Multi CAS
No
Molecular Formula
C11H10O3S
Molecular Weight
222.260000
Exact Mass
222.035065
InChI
InChI=1S/C11H10O3S/c1-14-8-2-3-10-9(5-8)7(6-15-10)4-11(12)13/h2-3,5-6H,4H2,1H3,(H,12,13)
InChIKey
ZVDZFCSTOMPOMO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.72
TPSA
46.53
LogP / Solubility
WLOGP
2.54
MLOGP
2.24
XLogP3
2.4
Consensus LogP
2.39
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
6-BroMobenzo[d]thiazol-7-aMine
- CAS RN: 30132-85-5
- Product Code: starshine_CAS30132-85-5
- Purity/Analytical method: >99.0%
-
-
-
2,2,2-trichloro-1-(1-methyl-1H-imidazol-2-yl)ethan-1-one
- CAS RN: 30148-23-3
- Product Code: SSC-133839
![CAS 30132-85-5 6-BroMobenzo[d]thiazol-7-aMine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/30132-85-5.gif)
