CAS RN: 1207-99-4
3-chloro-10H-phenothiazine
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.20260201 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1207-99-4
- Purity/Analytical Methods: >99.0%
1207-99-4 / 3-chloro-10H-phenothiazine
3-Chloro-10H-phenothiazine | 3-Chlorophenothiazine | 10H-Phenothiazine, 3-chloro-
Basic Information
CAS
1207-99-4
Multi CAS
Yes
Molecular Formula
C12H8ClNS
Molecular Weight
233.720000
Exact Mass
233.006598
SMILES
C1=CC=C2C(=C1)NC3=C(S2)C=C(C=C3)Cl
InChI
InChI=1S/C12H8ClNS/c13-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)14-10/h1-7,14H
InChIKey
DPUVPRWTWNQSOS-UHFFFAOYSA-N
Synonyms
3-Chloro-10H-phenothiazine
3-Chlorophenothiazine
10H-Phenothiazine, 3-chloro-
MAA2N1HWX6
EINECS 214-898-9
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
H-bond acceptors
2
H-bond donors
1
Molar refractivity
65.3
TPSA
12.03
LogP / Solubility
WLOGP
4.55
MLOGP
4.01
XLogP3
4.8
Consensus LogP
4.45
Log S (ESOL)
-4.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.95
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
