CAS RN: 243-46-9
BENZO(B)NAPHTHO(2,3-D)THIOPHENE
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.20250412 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS243-46-9
- Purity/Analytical Methods: >99.0%
243-46-9 / naphtho[2,3-b][1]benzothiole
Basic Information
CAS
243-46-9
Multi CAS
No
Molecular Formula
C16H10S
Molecular Weight
234.300000
Exact Mass
234.050321
SMILES
C1=CC=C2C=C3C(=CC2=C1)C4=CC=CC=C4S3
InChI
InChI=1S/C16H10S/c1-2-6-12-10-16-14(9-11(12)5-1)13-7-3-4-8-15(13)17-16/h1-10H
InChIKey
UWMISBRPSJFHIR-UHFFFAOYSA-N
Physical Properties
Physical Description
Almost white solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
17
H-bond acceptors
1
Molar refractivity
76.84
TPSA
28.2000
LogP / Solubility
WLOGP
5.21
MLOGP
4.59
XLogP3
5.2
Consensus LogP
5
Log S (ESOL)
-5.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.51
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)
-0.45
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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