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CAS 57625-86-2 H-Lys-Leu-Lys-OH molecular structure lightbox
CAS RN: 57625-86-2

H-Lys-Leu-Lys-OH

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260124 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS57625-86-2
  • Purity/Analytical Methods: >99.0%
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57625-86-2 / (2S)-6-amino-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-methylpentanoyl]amino]hexanoic acid

Standard CAS: 57625-86-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
57625-86-2
Multi CAS
Yes
Molecular Formula
C18H37N5O4
Molecular Weight
387.500000
Exact Mass
387.284555
InChI
InChI=1S/C18H37N5O4/c1-12(2)11-15(23-16(24)13(21)7-3-5-9-19)17(25)22-14(18(26)27)8-4-6-10-20/h12-15H,3-11,19-21H2,1-2H3,(H,22,25)(H,23,24)(H,26,27)/t13-,14-,15-/m0/s1
InChIKey
RBEATVHTWHTHTJ-KKUMJFAQSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
0.83
Rotatable bonds
15
H-bond acceptors
6
H-bond donors
6
Molar refractivity
104.74
TPSA
173.56

LogP / Solubility

WLOGP
-0.33
MLOGP
-0.27
XLogP3
-4.1
Consensus LogP
-1.57
Log S (ESOL)
-1.05
Class (ESOL)
Soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.71
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.32

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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