CAS RN: 875917-18-3
N-(3-BROMOPHENYL)-N-METHYLMETHANESULFONAMIDE
- Product code: SSC-197728
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
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 | ≥95% | 0 Out of Stock | Beijing | Inquiry |
875917-18-3 / N-(3-bromophenyl)-N-methylmethanesulfonamide
Basic Information
CAS
875917-18-3
Multi CAS
No
Molecular Formula
BC8H10O2RnS
Molecular Weight
264.140000
Exact Mass
262.961560
InChI
InChI=1S/C8H10BrNO2S/c1-10(13(2,11)12)8-5-3-4-7(9)6-8/h3-6H,1-2H3
InChIKey
CPWCZQQEEWJMCV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
57.39
TPSA
37.38
LogP / Solubility
WLOGP
1.84
MLOGP
1.63
XLogP3
1.7
Consensus LogP
1.72
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.15
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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