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CAS 94367-20-1 SUC-LEU-TYR-AMC molecular structure lightbox
CAS RN: 94367-20-1

SUC-LEU-TYR-AMC

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250219 10mg / 50mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS94367-20-1
  • Purity/Analytical Methods: >99.0%
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94367-20-1 / 4-[[(2S)-1-[[3-(4-hydroxyphenyl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid

Standard CAS: 94367-20-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
94367-20-1
Multi CAS
Yes
Molecular Formula
C29H33N3O8
Molecular Weight
551.600000
Exact Mass
551.226765
InChI
InChI=1S/C29H33N3O8/c1-16(2)12-22(31-25(34)10-11-26(35)36)29(39)32-23(14-18-4-7-20(33)8-5-18)28(38)30-19-6-9-21-17(3)13-27(37)40-24(21)15-19/h4-9,13,15-16,22-23,33H,10-12,14H2,1-3H3,(H,30,38)(H,31,34)(H,32,39)(H,35,36)/t22-,23-/m0/s1
InChIKey
RIYLNECMTVNMSO-GOTSBHOMSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
16
Fraction Csp3
0.34
Rotatable bonds
12
H-bond acceptors
7
H-bond donors
5
Molar refractivity
147.85
TPSA
175.04

LogP / Solubility

WLOGP
2.87
MLOGP
2.57
XLogP3
2.5
Consensus LogP
2.65
Log S (ESOL)
-4.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.07
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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