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CAS 368449-04-1 MST-312 molecular structure lightbox
CAS RN: 368449-04-1

MST-312

Product Availability

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6 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250428 100mg Out of stock Inquiry
Batchno.20250808 10mg In stock Shanghai Inquiry
Batchno.20260322 250mg Out of stock Inquiry
Batchno.20260219 25mg In stock Shanghai Inquiry
Batchno.20250104 50mg In stock Shanghai Inquiry
Batchno.20251128 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS368449-04-1
  • Purity/Analytical Methods: >99.0%
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368449-04-1 / N-[3-[(2,3-dihydroxybenzoyl)amino]phenyl]-2,3-dihydroxybenzamide

Standard CAS: 368449-04-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
368449-04-1
Multi CAS
Yes
Molecular Formula
C20H16N2O6
Molecular Weight
380.300000
Exact Mass
380.100836
InChI
InChI=1S/C20H16N2O6/c23-15-8-2-6-13(17(15)25)19(27)21-11-4-1-5-12(10-11)22-20(28)14-7-3-9-16(24)18(14)26/h1-10,23-26H,(H,21,27)(H,22,28)
InChIKey
MIQUEZGHEJGPJB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
18
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
6
Molar refractivity
101.89
TPSA
139.12

LogP / Solubility

WLOGP
3.01
MLOGP
2.67
XLogP3
3.3
Consensus LogP
2.99
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.85
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.11
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
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)
-2.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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