CAS RN: 936494-74-5
2-(4-BROMOPHENYL)-2-(HYDROXYMETHYL)PROPANE-1,3-DIOL
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.20251205 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-207990
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: ≥95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
936494-74-5 / 2-(4-bromophenyl)-2-(hydroxymethyl)propane-1,3-diol
Basic Information
CAS
936494-74-5
Multi CAS
No
Molecular Formula
C10H13BRO3
Molecular Weight
261.110000
Exact Mass
260.004810
InChI
InChI=1S/C10H13BrO3/c11-9-3-1-8(2-4-9)10(5-12,6-13)7-14/h1-4,12-14H,5-7H2
InChIKey
PTFBRTJXVDPNFS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
57.08
TPSA
60.69
LogP / Solubility
WLOGP
0.66
MLOGP
0.59
XLogP3
0.6
Consensus LogP
0.62
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.84
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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![CAS 936500-94-6 5-Chloro-N-[[[4-[6-fluoro-1,4-dihydro-7-(methylamino)-2,4-dioxo-3(2H)-quinazolinyl]phenyl]amino]carbonyl]-2-thiophenesulfonamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/936500-94-6.gif)
