[email protected]
CAS 942413-05-0 VKGILS-NH2 molecular structure lightbox
CAS RN: 942413-05-0

VKGILS-NH2

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260421 5mg / 25mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS942413-05-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

942413-05-0 / (2S)-6-amino-N-[2-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-[[(2S)-2-amino-3-methylbutanoyl]amino]hexanamide

Standard CAS: 942413-05-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
942413-05-0
Multi CAS
Yes
Molecular Formula
C28H54N8O7
Molecular Weight
614.800000
Exact Mass
614.411546
InChI
InChI=1S/C28H54N8O7/c1-7-17(6)23(28(43)34-19(12-15(2)3)26(41)35-20(14-37)24(31)39)36-21(38)13-32-25(40)18(10-8-9-11-29)33-27(42)22(30)16(4)5/h15-20,22-23,37H,7-14,29-30H2,1-6H3,(H2,31,39)(H,32,40)(H,33,42)(H,34,43)(H,35,41)(H,36,38)/t17-,18-,19-,20-,22-,23-/m0/s1
InChIKey
IYJUKRSADJIIBX-WAUHAFJUSA-N

Computed Properties

Structural Parameters

Heavy atom count
43
Fraction Csp3
0.79
Rotatable bonds
21
H-bond acceptors
9
H-bond donors
9
Molar refractivity
161.64
TPSA
260.86

LogP / Solubility

WLOGP
-2.28
MLOGP
-1.95
XLogP3
-0.7
Consensus LogP
-1.64
Log S (ESOL)
-0.83
Class (ESOL)
Very soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-4.29
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)
-8.09

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7

Customers Also Viewed

Get In Touch

Contact Us