CAS RN: 64999-91-3
64999-91-3
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260114 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS64999-91-3
- Purity/Analytical Methods: >99.0%
64999-91-3 / 4-bromo-N-methyl-N-phenylbenzenesulfonamide
Basic Information
CAS
64999-91-3
Multi CAS
Yes
Molecular Formula
BC13H12O2RnS
Molecular Weight
326.210000
Exact Mass
324.977210
InChI
InChI=1S/C13H12BrNO2S/c1-15(12-5-3-2-4-6-12)18(16,17)13-9-7-11(14)8-10-13/h2-10H,1H3
InChIKey
VAKOAGKCNQSYBA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
76.17
TPSA
37.38
LogP / Solubility
WLOGP
3.27
MLOGP
2.9
XLogP3
3.3
Consensus LogP
3.16
Log S (ESOL)
-4.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.86
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
No
Log Kp (skin permeation)
-2.39
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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