Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
16851-84-6 / 1-(4-bromophenyl)sulfonylpyrrole
Basic Information
CAS
16851-84-6
Multi CAS
No
Molecular Formula
C10H8BrNO2S
Molecular Weight
286.150000
Exact Mass
284.945910
SMILES
C1=CN(C=C1)S(=O)(=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C10H8BrNO2S/c11-9-3-5-10(6-4-9)15(13,14)12-7-1-2-8-12/h1-8H
InChIKey
WTLWGWZWPABAIF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
61.16
TPSA
39.07
LogP / Solubility
WLOGP
2.49
MLOGP
2.2
XLogP3
2.6
Consensus LogP
2.43
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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Z-PHE-TRP-OH
- CAS RN: 16856-28-3
- Product Code: starshine_CAS16856-28-3
- Purity/Analytical method: >99.0%
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