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CAS 112197-12-3 4-bromo-2-methoxy-3-methyl- Suppliers molecular structure lightbox
CAS RN: 112197-12-3

4-bromo-2-methoxy-3-methyl- Suppliers

  • Product code: SSC-012653
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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 112197-12-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

112197-12-3 / 4-bromo-2-methoxy-3-methylpyridine

4-Bromo-2-methoxy-3-methylpyridine | 4-bromo-2-methoxy-3-methyl-pyridine | MFCD16610111

Standard CAS: 112197-12-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
112197-12-3
Multi CAS
No
Molecular Formula
C7H8BrNO
Molecular Weight
202.050000
Exact Mass
200.978930
SMILES
CC1=C(C=CN=C1OC)Br
InChI
InChI=1S/C7H8BrNO/c1-5-6(8)3-4-9-7(5)10-2/h3-4H,1-2H3
InChIKey
MXNUOXFGYYUHJI-UHFFFAOYSA-N
Synonyms
4-Bromo-2-methoxy-3-methylpyridine 4-bromo-2-methoxy-3-methyl-pyridine MFCD16610111 4-bromo-2-methoxy-3-methyl- Suppliers Pyridine, 4-bromo-2-methoxy-3-methyl-

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
43.23
TPSA
22.12

LogP / Solubility

WLOGP
2.16
MLOGP
1.9
XLogP3
2.2
Consensus LogP
2.09
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
Class (SILICOS-IT)
Moderately 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)
-2.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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