CAS RN: 1227575-94-1
7-CHLORO-6-HYDROXY-1H-INDOLE-3-CARBALDEHYDE
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.20250720 | 25mg / 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1227575-94-1
- Purity/Analytical Methods: >99.0%
1227575-94-1 / 7-chloro-6-hydroxy-1H-indole-3-carbaldehyde
Basic Information
CAS
1227575-94-1
Multi CAS
No
Molecular Formula
C9H6ClNO2
Molecular Weight
195.600000
Exact Mass
195.008706
SMILES
C1=CC(=C(C2=C1C(=CN2)C=O)Cl)O
InChI
InChI=1S/C9H6ClNO2/c10-8-7(13)2-1-6-5(4-12)3-11-9(6)8/h1-4,11,13H
InChIKey
HDWZZORVUSVMJI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
50.36
TPSA
53.09
LogP / Solubility
WLOGP
2.34
MLOGP
2.06
XLogP3
1.8
Consensus LogP
2.07
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
Class (SILICOS-IT)
Moderately 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)
-2.25
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
-
-
3-(bromomethyl)-2-methoxy-5-(trifluoromethyl)pyridine
- CAS RN: 1227576-08-0
- Product Code: SSC-026051
-
4-Chloro-6-methylpyridin-2(1H)-one
- CAS RN: 1227576-13-7
- Product Code: starshine_CAS1227576-13-7
- Purity/Analytical method: >99.0%
-
5-FLUORO-2-HYDROXY-4-IODOPYRIDINE
- CAS RN: 1227576-86-4
- Product Code: starshine_CAS1227576-86-4
- Purity/Analytical method: >99.0%
-
-
