![CAS 24964-09-8 7-METHYLBENZO[B]NAPHTHO[2,3-D]THIOPHENE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/24964-09-8.gif)
CAS RN: 24964-09-8
7-METHYLBENZO[B]NAPHTHO[2,3-D]THIOPHENE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250207 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS24964-09-8
- Purity/Analytical Methods: >99.0%
24964-09-8 / 7-methylnaphtho[2,3-b][1]benzothiole
Basic Information
CAS
24964-09-8
Multi CAS
No
Molecular Formula
C17H12S
Molecular Weight
248.300000
Exact Mass
248.065972
SMILES
CC1=C2C=C3C(=CC2=CC=C1)C4=CC=CC=C4S3
InChI
InChI=1S/C17H12S/c1-11-5-4-6-12-9-15-13-7-2-3-8-16(13)18-17(15)10-14(11)12/h2-10H,1H3
InChIKey
CKOZCPVQNQOFGX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
17
Fraction Csp3
0.06
H-bond acceptors
1
Molar refractivity
81.57
TPSA
28.2000
LogP / Solubility
WLOGP
5.52
MLOGP
4.86
XLogP3
5.6
Consensus LogP
5.33
Log S (ESOL)
-5.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.85
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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