CAS RN: 126921-19-5
1H-Indole-3-carbonylchloride,1-methyl-(9CI)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260405 | 50mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS126921-19-5
- Purity/Analytical Methods: >99.0%
126921-19-5 / 1-methylindole-3-carbonyl chloride
Basic Information
CAS
126921-19-5
Multi CAS
No
Molecular Formula
C10H8ClNO
Molecular Weight
193.630000
Exact Mass
193.029442
SMILES
CN1C=C(C2=CC=CC=C21)C(=O)Cl
InChI
InChI=1S/C10H8ClNO/c1-12-6-8(10(11)13)7-4-2-3-5-9(7)12/h2-6H,1H3
InChIKey
MCDFXFLLOVQTLA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
53.1
TPSA
22
LogP / Solubility
WLOGP
2.56
MLOGP
2.25
XLogP3
2.8
Consensus LogP
2.54
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.16
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)
-2.09
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
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