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CAS 38579-27-0 LYS-TRP-LYS ACETATE molecular structure lightbox
CAS RN: 38579-27-0

LYS-TRP-LYS ACETATE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260414 10mg / 50mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS38579-27-0
  • Purity/Analytical Methods: >99.0%
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38579-27-0 / 6-amino-2-[[2-(2,6-diaminohexanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]hexanoic acid

Standard CAS: 38579-27-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
38579-27-0
Multi CAS
Yes
Molecular Formula
C23H36N6O4
Molecular Weight
460.600000
Exact Mass
460.279804
InChI
InChI=1S/C23H36N6O4/c24-11-5-3-8-17(26)21(30)29-20(13-15-14-27-18-9-2-1-7-16(15)18)22(31)28-19(23(32)33)10-4-6-12-25/h1-2,7,9,14,17,19-20,27H,3-6,8,10-13,24-26H2,(H,28,31)(H,29,30)(H,32,33)/t17-,19-,20-/m0/s1
InChIKey
YUTZYVTZDVZBJJ-IHPCNDPISA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
9
Fraction Csp3
0.52
Rotatable bonds
15
H-bond acceptors
6
H-bond donors
7
Molar refractivity
127.29
TPSA
189.35

LogP / Solubility

WLOGP
0.35
MLOGP
0.34
XLogP3
-2.8
Consensus LogP
-0.7
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.74
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)
-5.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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