![CAS 1335290-08-8 10,11-dihydro-[1,2,5]thiadiazolo[3,4-e]thieno[2′,3′:4,5]pyrrolo[3,2-g]thieno[3,2-b]indole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1335290-08-8.gif)
CAS RN: 1335290-08-8
10,11-dihydro-[1,2,5]thiadiazolo[3,4-e]thieno[2′,3′:4,5]pyrrolo[3,2-g]thieno[3,2-b]indole
- Product code: SSC-040371
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: 1g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1335290-08-8 / 7,12,17-trithia-3,11,13,21-tetrazahexacyclo[13.6.0.02,9.04,8.010,14.016,20]henicosa-1(21),2,4(8),5,9,14,16(20),18-octaene
Basic Information
CAS
1335290-08-8
Multi CAS
No
Molecular Formula
C14H6N4S3
Molecular Weight
326.400000
Exact Mass
325.975460
SMILES
C1=CSC2=C1N=C3C2=C4C(=C5C3=NC6=C5SC=C6)NSN4
InChI
InChI=1S/C14H6N4S3/c1-3-19-13-5(1)15-9-7(13)11-12(18-21-17-11)8-10(9)16-6-2-4-20-14(6)8/h1-4,17-18H
InChIKey
OKPWFHACPSLUCP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
21
H-bond acceptors
5
H-bond donors
2
Molar refractivity
91.89
TPSA
57.36
LogP / Solubility
WLOGP
5.08
MLOGP
4.49
XLogP3
4.3
Consensus LogP
4.62
Log S (ESOL)
-5.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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