![CAS 205-43-6 Benzo[b]naphtho[1,2-d]thiophene molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b4951-jpgcontextbwfzdgvyfhjvb3r8mzk0otl8aw1hz2uvanblz3xomtavadbmlzg5mjkxndq4njq3otgvqjq5nteuanbnfdc3mmyyogi1ztmwymq4mdcxogy2zwrmntq5ywyxyzaxmwjiywu2zmi3ytk5mdiwn2iynjc0zdy2ywjjnju3yzm.jpeg)
CAS RN: 205-43-6
Benzo[b]naphtho[1,2-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.20250602 | 100mg / 250mg / 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-096438
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 25g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 25g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
205-43-6 / naphtho[2,1-b][1]benzothiole
Basic Information
CAS
205-43-6
Multi CAS
No
Molecular Formula
C16H10S
Molecular Weight
234.300000
Exact Mass
234.050321
SMILES
C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4S3
InChI
InChI=1S/C16H10S/c1-2-6-12-11(5-1)9-10-15-16(12)13-7-3-4-8-14(13)17-15/h1-10H
InChIKey
XZUMOEVHCZXMTR-UHFFFAOYSA-N
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
5.6
Consensus LogP
5.13
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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