![CAS 2245708-68-1 2-amino-6-(propylamino)-5,6-dihydrobenzo[d]thiazol-7(4H)-one hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2245708-68-1.gif)
CAS RN: 2245708-68-1
2-amino-6-(propylamino)-5,6-dihydrobenzo[d]thiazol-7(4H)-one hydrochloride
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250426 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2245708-68-1
- Purity/Analytical Methods: >99.0%
2245708-68-1 / 2-amino-6-(propylamino)-5,6-dihydro-4H-1,3-benzothiazol-7-one;hydrochloride
Basic Information
CAS
2245708-68-1
Multi CAS
No
Molecular Formula
C10H16ClN3OS
Molecular Weight
261.770000
Exact Mass
261.070261
SMILES
CCCNC1CCC2=C(C1=O)SC(=N2)N.Cl
InChI
InChI=1S/C10H15N3OS.ClH/c1-2-5-12-6-3-4-7-9(8(6)14)15-10(11)13-7;/h6,12H,2-5H2,1H3,(H2,11,13);1H
InChIKey
XMGPNGIZQVWNNF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
68.51
TPSA
68.01
LogP / Solubility
WLOGP
1.64
MLOGP
1.45
XLogP3
1.64
Consensus LogP
1.58
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.09
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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