CAS RN: 936092-53-4
N-tert-butyl-3-(2-chloro-5-methylpyrimidin-4-ylamino)benzenesulfonamide
- Product code: SSC-207918
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: 0.1g
- 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 |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
936092-53-4 / N-tert-butyl-3-[(2-chloro-5-methylpyrimidin-4-yl)amino]benzenesulfonamide
Basic Information
CAS
936092-53-4
Multi CAS
Yes
Molecular Formula
C15H19CLN4O2S
Molecular Weight
354.900000
Exact Mass
354.091725
InChI
InChI=1S/C15H19ClN4O2S/c1-10-9-17-14(16)19-13(10)18-11-6-5-7-12(8-11)23(21,22)20-15(2,3)4/h5-9,20H,1-4H3,(H,17,18,19)
InChIKey
VINYOUWDZHOVFB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
91.58
TPSA
83.98
LogP / Solubility
WLOGP
3.26
MLOGP
2.89
XLogP3
3.4
Consensus LogP
3.18
Log S (ESOL)
-4.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.15
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.57
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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