CAS RN: 342405-28-1
1-(PHENYLSULFONYL)-1H-INDOLE-2-CARBONYL CHLORIDE
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250305 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS342405-28-1
- Purity/Analytical Methods: >99.0%
342405-28-1 / 1-(benzenesulfonyl)indole-2-carbonyl chloride
Basic Information
CAS
342405-28-1
Multi CAS
No
Molecular Formula
C15H10CLNO3S
Molecular Weight
319.800000
Exact Mass
319.006992
InChI
InChI=1S/C15H10ClNO3S/c16-15(18)14-10-11-6-4-5-9-13(11)17(14)21(19,20)12-7-2-1-3-8-12/h1-10H
InChIKey
MDDUSWMIZCDHNC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
15
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
81.15
TPSA
56.14
LogP / Solubility
WLOGP
3.26
MLOGP
2.88
XLogP3
4.1
Consensus LogP
3.41
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.8
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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