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CAS 113503-65-4 2-Bromo-3-isopropoxypyridine molecular structure lightbox
CAS RN: 113503-65-4

2-Bromo-3-isopropoxypyridine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250820 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-013618
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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: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 113503-65-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

113503-65-4 / 2-bromo-3-propan-2-yloxypyridine

2-Bromo-3-isopropoxypyridine | Pyridine, 2-bromo-3-(1-methylethoxy)- | 2-bromo-3-propan-2-yloxypyridine

Standard CAS: 113503-65-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
113503-65-4
Multi CAS
No
Molecular Formula
C8H10BrNO
Molecular Weight
216.070000
Exact Mass
214.994580
SMILES
CC(C)OC1=C(N=CC=C1)Br
InChI
InChI=1S/C8H10BrNO/c1-6(2)11-7-4-3-5-10-8(7)9/h3-6H,1-2H3
InChIKey
OEYWNNYESKWLGO-UHFFFAOYSA-N
Synonyms
2-Bromo-3-isopropoxypyridine Pyridine, 2-bromo-3-(1-methylethoxy)- 2-bromo-3-propan-2-yloxypyridine MFCD11878542 2-bromo-3-isopropoxy-pyridine

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
47.7
TPSA
22.12

LogP / Solubility

WLOGP
2.63
MLOGP
2.32
XLogP3
2.1
Consensus LogP
2.35
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
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)
-2.17

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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