CAS RN: 210174-74-6
9,10-Dibromoanthracene-2-sulfonyl Chloride
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.20260110 | 50mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS210174-74-6
- Purity/Analytical Methods: >99.0%
210174-74-6 / 9,10-dibromoanthracene-2-sulfonyl chloride
Basic Information
CAS
210174-74-6
Multi CAS
No
Molecular Formula
C14H7Br2ClO2S
Molecular Weight
434.500000
Exact Mass
433.820150
SMILES
C1=CC=C2C(=C1)C(=C3C=CC(=CC3=C2Br)S(=O)(=O)Cl)Br
InChI
InChI=1S/C14H7Br2ClO2S/c15-13-9-3-1-2-4-10(9)14(16)12-7-8(20(17,18)19)5-6-11(12)13/h1-7H
InChIKey
AZFXTUUUGCMHGD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
89.89
TPSA
34.14
LogP / Solubility
WLOGP
5.45
MLOGP
4.82
XLogP3
5.8
Consensus LogP
5.36
Log S (ESOL)
-6.42
Class (ESOL)
Insoluble
Log S (Ali)
-7.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.12
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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