CAS RN: 380893-73-2
2-(DIETHYLPHOSPHONYLMETHYL)-5-BROMOPYRIDINE
- Product code: SSC-145601
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
380893-73-2 / 5-bromo-2-(diethoxyphosphorylmethyl)pyridine
Basic Information
CAS
380893-73-2
Multi CAS
No
Molecular Formula
BC10H15O3PRn
Molecular Weight
308.110000
Exact Mass
306.997290
InChI
InChI=1S/C10H15BrNO3P/c1-3-14-16(13,15-4-2)8-10-6-5-9(11)7-12-10/h5-7H,3-4,8H2,1-2H3
InChIKey
FXHRUJPAPFLBML-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
66.5
TPSA
48.42
LogP / Solubility
WLOGP
3.61
MLOGP
3.19
XLogP3
1.4
Consensus LogP
2.73
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.38
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)
-2.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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