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CAS 109292-46-8 H-ARG-GLY-ASP-CYS-OH molecular structure lightbox
CAS RN: 109292-46-8

H-ARG-GLY-ASP-CYS-OH

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4 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250513 100mg Out of stock Inquiry
Batchno.20260402 10mg Out of stock Inquiry
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Batchno.20250514 5mg / 10mg / 25mg / 100mg Confirm by inquiry Shanghai, Hebei, Shandong Inquiry
  • Product code: starshine_CAS109292-46-8
  • Purity/Analytical Methods: >99.0%
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109292-46-8 / (3S)-3-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-4-oxobutanoic acid

H-Arg-Gly-Asp-Cys-OH | Arg-Gly-Asp-Cys | CHEMBL290071

Standard CAS: 109292-46-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
109292-46-8
Multi CAS
Yes
Molecular Formula
C15H27N7O7S
Molecular Weight
449.500000
Exact Mass
449.169267
SMILES
C(C[C@@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)O)N)CN=C(N)N
InChI
InChI=1S/C15H27N7O7S/c16-7(2-1-3-19-15(17)18)12(26)20-5-10(23)21-8(4-11(24)25)13(27)22-9(6-30)14(28)29/h7-9,30H,1-6,16H2,(H,20,26)(H,21,23)(H,22,27)(H,24,25)(H,28,29)(H4,17,18,19)/t7-,8-,9-/m0/s1
InChIKey
AEGSIYIIMVBZQU-CIUDSAMLSA-N
Synonyms
H-Arg-Gly-Asp-Cys-OH Arg-Gly-Asp-Cys CHEMBL290071 (3S)-3-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-4-oxobutanoic acid RGDC, R-G-D-C

Computed Properties

Structural Parameters

Heavy atom count
30
Fraction Csp3
0.6
Rotatable bonds
14
H-bond acceptors
8
H-bond donors
9
Molar refractivity
108.5
TPSA
252.32

LogP / Solubility

WLOGP
-4.06
MLOGP
-3.54
XLogP3
-6.3
Consensus LogP
-4.63
Log S (ESOL)
0.85
Class (ESOL)
Highly soluble
Log S (Ali)
-0.32
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.89
Class (SILICOS-IT)
Very 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)
-8.34

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
4

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