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CAS 18635-55-7 H-GLY-ARG-OH molecular structure lightbox
CAS RN: 18635-55-7

H-GLY-ARG-OH

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250401 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS18635-55-7
  • Purity/Analytical Methods: >99.0%
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18635-55-7 / (2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoic acid

Standard CAS: 18635-55-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18635-55-7
Multi CAS
No
Molecular Formula
C8H17N5O3
Molecular Weight
231.250000
Exact Mass
231.133139
SMILES
C(C[C@@H](C(=O)O)NC(=O)CN)CN=C(N)N
InChI
InChI=1S/C8H17N5O3/c9-4-6(14)13-5(7(15)16)2-1-3-12-8(10)11/h5H,1-4,9H2,(H,13,14)(H,15,16)(H4,10,11,12)/t5-/m0/s1
InChIKey
JLXVRFDTDUGQEE-YFKPBYRVSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.62
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
5
Molar refractivity
58.53
TPSA
156.82

LogP / Solubility

WLOGP
-2.43
MLOGP
-2.14
XLogP3
-4.9
Consensus LogP
-3.16
Log S (ESOL)
0.72
Class (ESOL)
Highly soluble
Log S (Ali)
0.3
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.02
Class (SILICOS-IT)
Highly 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)
-5.86

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
2

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