CAS RN: 57-66-9
Probenecid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250323 | 1ml | In stock | Inquiry |
- Product code: ICTP1975
- Purity/Analytical Methods: >98.0%(T)(HPLC)
57-66-9 / 4-(dipropylsulfamoyl)benzoic acid
Basic Information
CAS
57-66-9
Multi CAS
Yes
Molecular Formula
C13H19NO4S
Molecular Weight
285.360000
Exact Mass
285.103479
InChI
InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)
InChIKey
DBABZHXKTCFAPX-UHFFFAOYSA-N
Physical Properties
Melting Point
381 to 385 °F (NTP, 1992)
194-196 °C
195 °C
Physical Description
Probenecid appears as odorless white or almost white crystalline powder. Slightly bitter taste; pleasant aftertaste. (NTP, 1992)
Solid
Appearance
CRYSTALS FROM DIL ALCOHOL
WHITE OR NEARLY WHITE, FINE, CRYSTALLINE POWDER
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
72.74
TPSA
74.68
LogP / Solubility
WLOGP
2.2
MLOGP
1.94
XLogP3
3.2
Consensus LogP
2.45
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.18
Class (SILICOS-IT)
Slightly 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)
-2.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
