[email protected]
CAS 287116-76-1 Pyridine, 2-bromo-5-(2-methyl-1,3-dioxolan-2-yl)- molecular structure lightbox
CAS RN: 287116-76-1

Pyridine, 2-bromo-5-(2-methyl-1,3-dioxolan-2-yl)-

  • Product code: SSC-130342
GET A QUOTE
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
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 287116-76-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

287116-76-1 / 2-bromo-5-(2-methyl-1,3-dioxolan-2-yl)pyridine

Standard CAS: 287116-76-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
287116-76-1
Multi CAS
No
Molecular Formula
C9H10BrNO2
Molecular Weight
244.080000
Exact Mass
242.989490
SMILES
CC1(OCCO1)C2=CN=C(C=C2)Br
InChI
InChI=1S/C9H10BrNO2/c1-9(12-4-5-13-9)7-2-3-8(10)11-6-7/h2-3,6H,4-5H2,1H3
InChIKey
TWXWZKJIIXWMPS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
51.19
TPSA
31.35

LogP / Solubility

WLOGP
2.06
MLOGP
1.82
XLogP3
1.5
Consensus LogP
1.79
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.08
Class (SILICOS-IT)
Poorly 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)
-2.74

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

Customers Also Viewed

Get In Touch

Contact Us