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CAS 62024-09-3 GLYCYL-L-HISTIDYL-L-LYSINE ACETATE HEMIHYDRATE, 99 molecular structure lightbox
CAS RN: 62024-09-3

GLYCYL-L-HISTIDYL-L-LYSINE ACETATE HEMIHYDRATE, 99

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260402 100mg In stock Shanghai Inquiry
  • Product code: starshine_CAS62024-09-3
  • Purity/Analytical Methods: >99.0%
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62024-09-3 / 2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]acetic acid

Standard CAS: 62024-09-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
62024-09-3
Multi CAS
Yes
Molecular Formula
C14H24N6O4
Molecular Weight
340.380000
Exact Mass
340.185903
InChI
InChI=1S/C14H24N6O4/c15-4-2-1-3-11(14(24)18-7-12(21)22)20-13(23)10(16)5-9-6-17-8-19-9/h6,8,10-11H,1-5,7,15-16H2,(H,17,19)(H,18,24)(H,20,23)(H,21,22)/t10-,11-/m0/s1
InChIKey
XKIYNCLILDLGRS-QWRGUYRKSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
11
H-bond acceptors
6
H-bond donors
6
Molar refractivity
85.75
TPSA
176.22

LogP / Solubility

WLOGP
-1.91
MLOGP
-1.66
XLogP3
-4.4
Consensus LogP
-2.66
Log S (ESOL)
-0.18
Class (ESOL)
Very soluble
Log S (Ali)
-0.98
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.61
Class (SILICOS-IT)
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)
-6.15

Drug-likeness / Medicinal Chemistry

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

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