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CAS 151151-29-0 H-HIS-LYS-OH HBR molecular structure lightbox
CAS RN: 151151-29-0

H-HIS-LYS-OH HBR

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250530 250mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251006 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS151151-29-0
  • Purity/Analytical Methods: >99.0%
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151151-29-0 / (2S)-6-amino-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoic acid;hydrobromide

Standard CAS: 151151-29-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
151151-29-0
Multi CAS
No
Molecular Formula
C12H22BrN5O3
Molecular Weight
364.240000
Exact Mass
363.090600
SMILES
C1=C(NC=N1)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)N.Br
InChI
InChI=1S/C12H21N5O3.BrH/c13-4-2-1-3-10(12(19)20)17-11(18)9(14)5-8-6-15-7-16-8;/h6-7,9-10H,1-5,13-14H2,(H,15,16)(H,17,18)(H,19,20);1H/t9-,10-;/m0./s1
InChIKey
WSMPABBFCFUXFV-IYPAPVHQSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
5
Fraction Csp3
0.58
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
5
Molar refractivity
83.06
TPSA
147.12

LogP / Solubility

WLOGP
-0.44
MLOGP
-0.37
XLogP3
-0.44
Consensus LogP
-0.42
Log S (ESOL)
-1.4
Class (ESOL)
Soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
Class (SILICOS-IT)
Moderately 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)
-5.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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