CAS RN: 55439-73-1
1,3-BENZOTHIAZOLE-6-CARBONYL CHLORIDE
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.20250919 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS55439-73-1
- Purity/Analytical Methods: >99.0%
55439-73-1 / 1,3-benzothiazole-6-carbonyl chloride
Basic Information
CAS
55439-73-1
Multi CAS
No
Molecular Formula
C8H4CLNOS
Molecular Weight
197.640000
Exact Mass
196.970213
InChI
InChI=1S/C8H4ClNOS/c9-8(11)5-1-2-6-7(3-5)12-4-10-6/h1-4H
InChIKey
NGQVUZRWHRIRFX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
49.8
TPSA
29.96
LogP / Solubility
WLOGP
2.68
MLOGP
2.35
XLogP3
2.5
Consensus LogP
2.51
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.29
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
9-METHYLURIC ACID
- CAS RN: 55441-71-9
- Product Code: starshine_CAS55441-71-9
- Purity/Analytical method: >99.0%
-
L-GLUTAMIC ACID-13C5
- CAS RN: 55443-55-5
- Product Code: starshine_CAS55443-55-5
- Purity/Analytical method: >99.0%
-
Araloside C
- CAS RN: 55446-15-6
- Product Code: starshine_CAS55446-15-6
- Purity/Analytical method: >99.0%
