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CAS 204140-01-2 MMP-9/MMP-13 INHIBITOR I molecular structure lightbox
CAS RN: 204140-01-2

MMP-9/MMP-13 INHIBITOR I

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250518 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS204140-01-2
  • Purity/Analytical Methods: >99.0%
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204140-01-2 / N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(4-phenylbenzoyl)piperazine-2-carboxamide

Standard CAS: 204140-01-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
204140-01-2
Multi CAS
No
Molecular Formula
C25H25N3O6S
Molecular Weight
495.500000
Exact Mass
495.146407
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)NO)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H25N3O6S/c1-34-21-11-13-22(14-12-21)35(32,33)28-16-15-27(17-23(28)24(29)26-31)25(30)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-14,23,31H,15-17H2,1H3,(H,26,29)
InChIKey
KXZZWRQJKQVMKR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
18
Fraction Csp3
0.2
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
2
Molar refractivity
128.38
TPSA
116.25

LogP / Solubility

WLOGP
2.38
MLOGP
2.13
XLogP3
2.5
Consensus LogP
2.34
Log S (ESOL)
-4.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.58
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)
-4.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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