CAS RN: 885269-32-9
4-(4′-Chloro-4-biphenylylsulfonylaMino)benzoic acid
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.20251110 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS885269-32-9
- Purity/Analytical Methods: >99.0%
885269-32-9 / 4-[[4-(4-chlorophenyl)phenyl]sulfonylamino]benzoic acid
Basic Information
CAS
885269-32-9
Multi CAS
No
Molecular Formula
C19H14CLNO4S
Molecular Weight
387.800000
Exact Mass
387.033207
InChI
InChI=1S/C19H14ClNO4S/c20-16-7-1-13(2-8-16)14-5-11-18(12-6-14)26(24,25)21-17-9-3-15(4-10-17)19(22)23/h1-12,21H,(H,22,23)
InChIKey
AYWSYJTWHIPSFL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
18
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
101.1
TPSA
83.47
LogP / Solubility
WLOGP
4.51
MLOGP
3.99
XLogP3
4.5
Consensus LogP
4.33
Log S (ESOL)
-5.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.99
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.52
Class (SILICOS-IT)
Insoluble
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)
-1.89
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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