CAS RN: 1242336-55-5
N-(5-Bromopyrimidin-2-yl)methanesulfonamide
- Product code: SSC-028111
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 | Shenzhen | Inquiry |
1242336-55-5 / N-(5-bromopyrimidin-2-yl)methanesulfonamide
Basic Information
CAS
1242336-55-5
Multi CAS
No
Molecular Formula
C5H6BrN3O2S
Molecular Weight
252.090000
Exact Mass
250.936410
SMILES
CS(=O)(=O)NC1=NC=C(C=N1)Br
InChI
InChI=1S/C5H6BrN3O2S/c1-12(10,11)9-5-7-2-4(6)3-8-5/h2-3H,1H3,(H,7,8,9)
InChIKey
MRNXHECJHFQUDD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
48.2
TPSA
71.95
LogP / Solubility
WLOGP
0.61
MLOGP
0.54
XLogP3
0.2
Consensus LogP
0.45
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.05
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)
-3.82
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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