CAS RN: 30711-41-2
2-OCTANOYLTHIOPHENE
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.20250906 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS30711-41-2
- Purity/Analytical Methods: >99.0%
30711-41-2 / 1-thiophen-2-yloctan-1-one
Basic Information
CAS
30711-41-2
Multi CAS
No
Molecular Formula
C12H18OS
Molecular Weight
210.340000
Exact Mass
210.107836
InChI
InChI=1S/C12H18OS/c1-2-3-4-5-6-8-11(13)12-9-7-10-14-12/h7,9-10H,2-6,8H2,1H3
InChIKey
QRJZCQOLJVIBDE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.58
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
62.03
TPSA
17.07
LogP / Solubility
WLOGP
4.29
MLOGP
3.78
XLogP3
4.6
Consensus LogP
4.22
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.43
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.96
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
Customers Also Viewed
-
-
4-CHLORO-1-ETHYL-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLIC ACID ETHYL ESTER
- CAS RN: 30720-25-3
- Product Code: SSC-135651
-
-
-
Ethyl 2,3-dioxopiperidine-4-carboxylate
- CAS RN: 30727-21-0
- Product Code: starshine_CAS30727-21-0
- Purity/Analytical method: >99.0%
-
![CAS 30720-25-3 4-CHLORO-1-ETHYL-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLIC ACID ETHYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/30720-25-3.gif)
