![CAS 1003863-36-2 Thieno[3,4-b]-1,4-dioxin-2-methanamine, 2,3-dihydro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1003863-36-2.gif)
CAS RN: 1003863-36-2
Thieno[3,4-b]-1,4-dioxin-2-methanamine, 2,3-dihydro-
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.20250626 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1003863-36-2
- Purity/Analytical Methods: >99.0%
1003863-36-2 / 2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethanamine
2,3-Dihydrothieno[3,4-b]-1,4-dioxin-2-methanamine | 2,3-Dihydrothieno(3,4-b)-1,4-dioxin-2-methanamine | RefChem:244897
Basic Information
CAS
1003863-36-2
Multi CAS
No
Molecular Formula
C7H9NO2S
Molecular Weight
171.220000
Exact Mass
171.035400
SMILES
C1C(OC2=CSC=C2O1)CN
InChI
InChI=1S/C7H9NO2S/c8-1-5-2-9-6-3-11-4-7(6)10-5/h3-5H,1-2,8H2
InChIKey
OMODOTVFILQOGO-UHFFFAOYSA-N
Synonyms
2,3-Dihydrothieno[3,4-b]-1,4-dioxin-2-methanamine
2,3-Dihydrothieno(3,4-b)-1,4-dioxin-2-methanamine
RefChem:244897
Thieno[3,4-b]-1,4-dioxin-2-methanamine, 2,3-dihydro-
(2,3-dihydrothieno[3,4-b][1,4]dioxin-2-yl)methanamine
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
43.28
TPSA
44.48
LogP / Solubility
WLOGP
0.85
MLOGP
0.74
XLogP3
0.4
Consensus LogP
0.66
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.6
Class (SILICOS-IT)
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)
-3.16
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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