CAS RN: 6277-26-5
Acetone Benzothiazolyl-2-hydrazone
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
- Product code: SSC-172089
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: 5g
- Available purity: ≥98%
- 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 |
|---|---|---|---|---|
| 5g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
6277-26-5 / N-(propan-2-ylideneamino)-1,3-benzothiazol-2-amine
Basic Information
CAS
6277-26-5
Multi CAS
Yes
Molecular Formula
C10H11N3S
Molecular Weight
205.280000
Exact Mass
205.067369
InChI
InChI=1S/C10H11N3S/c1-7(2)12-13-10-11-8-5-3-4-6-9(8)14-10/h3-6H,1-2H3,(H,11,13)
InChIKey
TZHQLYDPJQZYNF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
62.03
TPSA
37.28
LogP / Solubility
WLOGP
3.1
MLOGP
2.73
XLogP3
2.8
Consensus LogP
2.88
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
