CAS RN: 193807-60-2
MMP-9 Inhibitor II
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250316 | 1mg / 5mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS193807-60-2
- Purity/Analytical Methods: >99.0%
193807-60-2 / (2R)-N-hydroxy-3-phenyl-2-[(4-phenylphenyl)sulfonylamino]propanamide
Basic Information
CAS
193807-60-2
Multi CAS
No
Molecular Formula
C21H20N2O4S
Molecular Weight
396.500000
Exact Mass
396.114378
SMILES
C1=CC=C(C=C1)C[C@H](C(=O)NO)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H20N2O4S/c24-21(22-25)20(15-16-7-3-1-4-8-16)23-28(26,27)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20,23,25H,15H2,(H,22,24)/t20-/m1/s1
InChIKey
UPCAIRKRFXQRRM-HXUWFJFHSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
3
Molar refractivity
106.06
TPSA
95.5
LogP / Solubility
WLOGP
2.75
MLOGP
2.44
XLogP3
3.4
Consensus LogP
2.86
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.36
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)
-3.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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