CAS RN: 1086063-46-8
N-(5-bromo-2-methoxypyridin-3-yl)-2,4-difluorobenzenesulfonamide
- Product code: SSC-009851
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
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 | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
1086063-46-8 / N-(5-bromo-2-methoxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide
N-(5-bromo-2-methoxypyridin-3-yl)-2,4-difluorobenzenesulfonamide | MFCD18206962 | N-(5-Bromo-2-methoxypyridin-3-yl)-2,4-difluorobenzene-1-sulfonamide
Basic Information
CAS
1086063-46-8
Multi CAS
No
Molecular Formula
C12H9BrF2N2O3S
Molecular Weight
379.180000
Exact Mass
377.948530
SMILES
COC1=C(C=C(C=N1)Br)NS(=O)(=O)C2=C(C=C(C=C2)F)F
InChI
InChI=1S/C12H9BrF2N2O3S/c1-20-12-10(4-7(13)6-16-12)17-21(18,19)11-3-2-8(14)5-9(11)15/h2-6,17H,1H3
InChIKey
KOPZSDXCMOPQKR-UHFFFAOYSA-N
Synonyms
N-(5-bromo-2-methoxypyridin-3-yl)-2,4-difluorobenzenesulfonamide
MFCD18206962
N-(5-Bromo-2-methoxypyridin-3-yl)-2,4-difluorobenzene-1-sulfonamide
C12H9BrF2N2O3S
SCHEMBL462714
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
75.66
TPSA
68.29
LogP / Solubility
WLOGP
2.93
MLOGP
2.6
XLogP3
2.6
Consensus LogP
2.71
Log S (ESOL)
-4.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.04
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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