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CAS 1211525-38-0 2-broMo-3-chloro-5-Methoxypyridine molecular structure lightbox
CAS RN: 1211525-38-0

2-broMo-3-chloro-5-Methoxypyridine

  • Product code: SSC-022604
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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
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1211525-38-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Hong Kong Inquiry
0.25g >95% 2 In Stock Shanghai Inquiry
1g >95% 2 In Stock Shanghai Inquiry

1211525-38-0 / 2-bromo-3-chloro-5-methoxypyridine

2-Bromo-3-chloro-5-methoxypyridine | MFCD16606315 | SY470275

Standard CAS: 1211525-38-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1211525-38-0
Multi CAS
No
Molecular Formula
C6H5BrClNO
Molecular Weight
222.470000
Exact Mass
220.924300
SMILES
COC1=CC(=C(N=C1)Br)Cl
InChI
InChI=1S/C6H5BrClNO/c1-10-4-2-5(8)6(7)9-3-4/h2-3H,1H3
InChIKey
ATTJZUGOZYMENP-UHFFFAOYSA-N
Synonyms
2-Bromo-3-chloro-5-methoxypyridine MFCD16606315 SY470275 DB-364728 H42111

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
43.5
TPSA
22.12

LogP / Solubility

WLOGP
2.51
MLOGP
2.21
XLogP3
2.5
Consensus LogP
2.41
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
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)
-2.3

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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