CAS RN: 885520-84-3
1H-Indole, 6-chloro-4-Methyl-
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.20250621 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS885520-84-3
- Purity/Analytical Methods: >99.0%
885520-84-3 / 6-chloro-4-methyl-1H-indole
Basic Information
CAS
885520-84-3
Multi CAS
No
Molecular Formula
C9H8CLN
Molecular Weight
165.620000
Exact Mass
165.034527
InChI
InChI=1S/C9H8ClN/c1-6-4-7(10)5-9-8(6)2-3-11-9/h2-5,11H,1H3
InChIKey
XHOALJZWZGCQJS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.11
H-bond donors
1
Molar refractivity
48.05
TPSA
15.79
LogP / Solubility
WLOGP
3.13
MLOGP
2.75
XLogP3
3
Consensus LogP
2.96
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.33
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)
-1.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
6-CHLORO-4-FLUORO-3-(1H)INDAZOLE CARBOXALDEHYDE
- CAS RN: 885520-85-4
- Product Code: SSC-199581
-
-
6-CHLORO-4-METHOXY-3-(1H)INDAZOLE CARBOXALDEHYDE
- CAS RN: 885520-94-5
- Product Code: SSC-199583
-
-
6-BROMO-4-METHYL-3-(1H)INDAZOLE CARBOXALDEHYDE
- CAS RN: 885521-01-7
- Product Code: SSC-199585
-
