CAS RN: 203915-59-7
MMP 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.20260227 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS203915-59-7
- Purity/Analytical Methods: >99.0%
203915-59-7 / N-hydroxy-1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethyl-1,3-diazinane-2-carboxamide
Basic Information
CAS
203915-59-7
Multi CAS
No
Molecular Formula
C21H27N3O8S2
Molecular Weight
513.600000
Exact Mass
513.123957
SMILES
CC1(CN(C(N(C1)S(=O)(=O)C2=CC=C(C=C2)OC)C(=O)NO)S(=O)(=O)C3=CC=C(C=C3)OC)C
InChI
InChI=1S/C21H27N3O8S2/c1-21(2)13-23(33(27,28)17-9-5-15(31-3)6-10-17)20(19(25)22-26)24(14-21)34(29,30)18-11-7-16(32-4)8-12-18/h5-12,20,26H,13-14H2,1-4H3,(H,22,25)
InChIKey
MCSWSPNUKWMZHM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
7
H-bond acceptors
8
H-bond donors
2
Molar refractivity
121.27
TPSA
142.55
LogP / Solubility
WLOGP
1.26
MLOGP
1.14
XLogP3
1.8
Consensus LogP
1.4
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.88
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
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)
-4.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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