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: 0.25g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
2785-06-0 / 2,3-dimethyl-1,3-benzothiazol-3-ium iodide
Basic Information
CAS
2785-06-0
Multi CAS
No
Molecular Formula
C9H10InS
Molecular Weight
291.150000
Exact Mass
290.957870
InChI
InChI=1S/C9H10NS.HI/c1-7-10(2)8-5-3-4-6-9(8)11-7;/h3-6H,1-2H3;1H/q+1;/p-1
InChIKey
VZRIFNLQJXPRJI-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.22
H-bond acceptors
1
Molar refractivity
47.74
TPSA
3.88
LogP / Solubility
WLOGP
-0.96
MLOGP
-0.84
XLogP3
-0.96
Consensus LogP
-0.92
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.25
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.75
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-5.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
-
(1,3-BENZODIOXOL-5-YLCARBONYL)AMINO]ACETIC ACID
- CAS RN: 27855-25-0
- Product Code: SSC-128254
-
![CAS 27855-25-0 (1,3-BENZODIOXOL-5-YLCARBONYL)AMINO]ACETIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/27855-25-0.gif)
