CAS RN: 869577-51-5
MMP-2 Inhibitor II
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.20260329 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS869577-51-5
- Purity/Analytical Methods: >99.0%
869577-51-5 / N-[4-[4-(oxiran-2-ylmethylsulfonyl)phenoxy]phenyl]methanesulfonamide
Basic Information
CAS
869577-51-5
Multi CAS
Yes
Molecular Formula
C16H17NO6S2
Molecular Weight
383.400000
Exact Mass
383.049730
InChI
InChI=1S/C16H17NO6S2/c1-24(18,19)17-12-2-4-13(5-3-12)23-14-6-8-16(9-7-14)25(20,21)11-15-10-22-15/h2-9,15,17H,10-11H2,1H3
InChIKey
ADEXXMLIERNFQB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
1
Molar refractivity
93.22
TPSA
102.07
LogP / Solubility
WLOGP
2.02
MLOGP
1.8
XLogP3
1.3
Consensus LogP
1.71
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.67
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
No
Log Kp (skin permeation)
-3.62
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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