CAS RN: 17035-90-4

NOMEGA-MONOMETHYL-L-ARGININE ACETATE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260306 100mg / 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS17035-90-4
  • Purity/Analytical Methods: >99.0%
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17035-90-4 / (2S)-2-amino-5-[(N'-methylcarbamimidoyl)amino]pentanoic acid

Standard CAS: 17035-90-4 Multi CAS: No

Basic Information

CAS
17035-90-4
Multi CAS
No
Molecular Formula
C7H16N4O2
Molecular Weight
188.230000
Exact Mass
188.127326
SMILES
CN=C(N)NCCC[C@@H](C(=O)O)N
InChI
InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1
InChIKey
NTNWOCRCBQPEKQ-YFKPBYRVSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.71
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
4
Molar refractivity
50.39
TPSA
113.73

LogP / Solubility

WLOGP
-1.29
MLOGP
-1.13
XLogP3
-4.1
Consensus LogP
-2.17
Log S (ESOL)
0.13
Class (ESOL)
Highly soluble
Log S (Ali)
-0.17
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.41
Class (SILICOS-IT)
Very 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)
-4.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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