CAS RN: 2321366-46-3
Nω-Propyl-L-arginine hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250816 | 5mg / 10mg | Out of stock | 30 business days | Inquiry |
2321366-46-3 / (2S)-2-amino-5-[(N'-propylcarbamimidoyl)amino]pentanoic acid;hydrochloride
(S)-2-Amino-5-(3-propylguanidino)pentanoic acid hydrochloride | N|O-Propyl-L-arginine (hydrochloride) | N-omega-Propyl-L-arginine hydrochloride
Basic Information
CAS
2321366-46-3
Multi CAS
Yes
Molecular Formula
C9H21CLN4O2
Molecular Weight
252.740000
Exact Mass
252.135304
SMILES
CCCN=C(N)NCCCC(C(=O)O)N.Cl
InChI
InChI=1S/C9H20N4O2.ClH/c1-2-5-12-9(11)13-6-3-4-7(10)8(14)15;/h7H,2-6,10H2,1H3,(H,14,15)(H3,11,12,13);1H/t7-;/m0./s1
InChIKey
YTPXYHYMXLUNPN-FJXQXJEOSA-N
Synonyms
(S)-2-Amino-5-(3-propylguanidino)pentanoic acid hydrochloride
N|O-Propyl-L-arginine (hydrochloride)
N-omega-Propyl-L-arginine hydrochloride
Nomega-Propyl-L-arginine (hydrochloride)
N?-Propyl-L-arginine hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.78
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
4
Molar refractivity
66.88
TPSA
113.73
LogP / Solubility
WLOGP
-0.09
MLOGP
-0.07
XLogP3
-0.09
Consensus LogP
-0.08
Log S (ESOL)
-0.89
Class (ESOL)
Very soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.07
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-4.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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