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CAS 3022-92-2 MALFORMIN A molecular structure lightbox
CAS RN: 3022-92-2

MALFORMIN A

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260221 1mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS3022-92-2
  • Purity/Analytical Methods: >99.0%
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3022-92-2 / 4-butan-2-yl-7-(2-methylpropyl)-10-propan-2-yl-15,16-dithia-2,5,8,11,19-pentazabicyclo[11.4.2]nonadecane-3,6,9,12,18-pentone

Standard CAS: 3022-92-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
3022-92-2
Multi CAS
Yes
Molecular Formula
C23H39N5O5S2
Molecular Weight
529.700000
Exact Mass
529.239262
InChI
InChI=1S/C23H39N5O5S2/c1-7-13(6)18-23(33)26-15-9-34-35-10-16(25-20(15)30)21(31)27-17(12(4)5)22(32)24-14(8-11(2)3)19(29)28-18/h11-18H,7-10H2,1-6H3,(H,24,32)(H,25,30)(H,26,33)(H,27,31)(H,28,29)
InChIKey
RNCGDQLZIATDOU-UHFFFAOYSA-N

Physical Properties

Melting Point
0 °C
Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
35
Fraction Csp3
0.78
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
5
Molar refractivity
138.32
TPSA
145.5

LogP / Solubility

WLOGP
0.57
MLOGP
0.54
XLogP3
2.1
Consensus LogP
1.07
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.17
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.55

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
9

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