![CAS 2641451-76-3 Pyridine, 3-bromo-5-iodo-2-[(1S)-1-methoxyethyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2641451-76-3.gif)
CAS RN: 2641451-76-3
Pyridine, 3-bromo-5-iodo-2-[(1S)-1-methoxyethyl]-
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.20250608 | 50mg / 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-124048
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, 10g, 25g
- Available purity: >98%
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >98% | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | >98% | 1 In Stock | Shanghai | Inquiry |
| 1g | >98% | 1 In Stock | Beijing | Inquiry |
| 5g | >98% | 1 In Stock | Hong Kong | Inquiry |
| 10g | >98% | 0 Out of Stock | Beijing | Inquiry |
| 25g | >98% | 0 Out of Stock | Shenzhen | Inquiry |
2641451-76-3 / 3-bromo-5-iodo-2-[(1S)-1-methoxyethyl]pyridine
Basic Information
CAS
2641451-76-3
Multi CAS
No
Molecular Formula
C8H9BrINO
Molecular Weight
341.970000
Exact Mass
340.891220
SMILES
C[C@@H](C1=C(C=C(C=N1)I)Br)OC
InChI
InChI=1S/C8H9BrINO/c1-5(12-2)8-7(9)3-6(10)4-11-8/h3-5H,1-2H3/t5-/m0/s1
InChIKey
DPRVXTXXJZAUBO-YFKPBYRVSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
60.08
TPSA
22.12
LogP / Solubility
WLOGP
3.16
MLOGP
2.79
XLogP3
2.3
Consensus LogP
2.75
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.74
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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