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CAS 20556-11-0 H-LYS-VAL-OH molecular structure lightbox
CAS RN: 20556-11-0

H-LYS-VAL-OH

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260418 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS20556-11-0
  • Purity/Analytical Methods: >99.0%
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20556-11-0 / (2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-methylbutanoic acid

Standard CAS: 20556-11-0 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
20556-11-0
Multi CAS
No
Molecular Formula
C11H23N3O3
Molecular Weight
245.320000
Exact Mass
245.173942
SMILES
CC(C)[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)N
InChI
InChI=1S/C11H23N3O3/c1-7(2)9(11(16)17)14-10(15)8(13)5-3-4-6-12/h7-9H,3-6,12-13H2,1-2H3,(H,14,15)(H,16,17)/t8-,9-/m0/s1
InChIKey
YQAIUOWPSUOINN-IUCAKERBSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.82
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
4
Molar refractivity
65.29
TPSA
118.44

LogP / Solubility

WLOGP
-0.33
MLOGP
-0.29
XLogP3
-3.6
Consensus LogP
-1.41
Log S (ESOL)
-0.62
Class (ESOL)
Very soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.94
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-4.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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