CAS RN: 547-35-3
P-(DIBUTYLSULFAMOYL)BENZOICACID
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.20250207 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS547-35-3
- Purity/Analytical Methods: >99.0%
547-35-3 / 4-(dibutylsulfamoyl)benzoic acid
Basic Information
CAS
547-35-3
Multi CAS
No
Molecular Formula
C15H23NO4S
Molecular Weight
313.400000
Exact Mass
313.134779
InChI
InChI=1S/C15H23NO4S/c1-3-5-11-16(12-6-4-2)21(19,20)14-9-7-13(8-10-14)15(17)18/h7-10H,3-6,11-12H2,1-2H3,(H,17,18)
InChIKey
HLLSOEKIMZEGFV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
81.98
TPSA
74.68
LogP / Solubility
WLOGP
2.98
MLOGP
2.63
XLogP3
3.9
Consensus LogP
3.17
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.25
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.52
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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