![CAS 1799420-94-2 5,6,7,8-Tetrahydro-4H-thieno[2,3-c]azepine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1799420-94-2.png)
CAS RN: 1799420-94-2
5,6,7,8-Tetrahydro-4H-thieno[2,3-c]azepine hydrochloride
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.20250905 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINT901627
1799420-94-2 / 5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepine;hydrochloride
Basic Information
CAS
1799420-94-2
Multi CAS
No
Molecular Formula
C8H12ClNS
Molecular Weight
189.710000
Exact Mass
189.037898
SMILES
C1CC2=C(CNC1)SC=C2.Cl
InChI
InChI=1S/C8H11NS.ClH/c1-2-7-3-5-10-8(7)6-9-4-1;/h3,5,9H,1-2,4,6H2;1H
InChIKey
SFTDRVQFFTUYED-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.59
TPSA
12.03
LogP / Solubility
WLOGP
2.21
MLOGP
1.94
XLogP3
2.21
Consensus LogP
2.12
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1187929-23-2 Ethyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate hydrochloride molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Ethyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate hydrochloride
- CAS RN: 1187929-23-2
- Product Code: LINE900622
-
-
-
tert-Butyl 5,6-dihydro-1H-pyrazolo[3,4-b]pyridine-7(4H)-carboxylate
- CAS RN: 2109805-74-3
- Product Code: SSC-100599
-
3-Morpholino-1-(4-nitrophenyl)-5,6-dihydropyridin-2(1H)-one
- CAS RN: 503615-03-0
- Product Code: SSC-156863
-
3-Morpholino-1-(4-(2-oxopiperidin-1-yl)phenyl)-5,6-dihydropyridin-2(1H)-one
- CAS RN: 545445-44-1
- Product Code: SSC-162261
![CAS 1187929-23-2 Ethyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1187929-23-2.png)
![CAS 2109805-74-3 tert-Butyl 5,6-dihydro-1H-pyrazolo[3,4-b]pyridine-7(4H)-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/2109805-74-3.png)
