[email protected]
CAS 236403-25-1 MMP-8 INHIBITOR I molecular structure lightbox
CAS RN: 236403-25-1

MMP-8 INHIBITOR I

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260216 1mg / 5mg / 25mg / 100mg Confirm by inquiry Shanghai, Hebei Inquiry
  • Product code: starshine_CAS236403-25-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

236403-25-1 / N-hydroxy-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Standard CAS: 236403-25-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
236403-25-1
Multi CAS
No
Molecular Formula
C17H18N2O5S
Molecular Weight
362.400000
Exact Mass
362.093643
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NO
InChI
InChI=1S/C17H18N2O5S/c1-24-14-6-8-15(9-7-14)25(22,23)19-11-13-5-3-2-4-12(13)10-16(19)17(20)18-21/h2-9,16,21H,10-11H2,1H3,(H,18,20)
InChIKey
PPELJLBDXLMTEW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
89.59
TPSA
95.94

LogP / Solubility

WLOGP
1.32
MLOGP
1.18
XLogP3
1.5
Consensus LogP
1.33
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4

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

Customers Also Viewed

Get In Touch

Contact Us