CAS RN: 204633-95-4
L-ARGININE:HCL (15N4)
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS204633-95-4
- Purity/Analytical Methods: >99.0%
204633-95-4 / (2S)-2-(15N)azanyl-5-[bis(15N)(azanyl)methylideneamino]pentanoic acid;hydrochloride
Basic Information
CAS
204633-95-4
Multi CAS
No
Molecular Formula
C6H15ClN4O2
Molecular Weight
214.630000
Exact Mass
214.076493
SMILES
C(C[C@@H](C(=O)O)[15NH2])C[15N]=C([15NH2])[15NH2].Cl
InChI
InChI=1S/C6H14N4O2.ClH/c7-4(5(11)12)2-1-3-10-6(8)9;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H/t4-;/m0./s1/i7+1,8+1,9+1,10+1;
InChIKey
KWTQSFXGGICVPE-JYJSWXFRSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.67
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
4
Molar refractivity
52.77
TPSA
127.72
LogP / Solubility
WLOGP
-1.13
MLOGP
-0.99
XLogP3
-1.13
Consensus LogP
-1.08
Log S (ESOL)
-0.11
Class (ESOL)
Very soluble
Log S (Ali)
-0.47
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.69
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)
-4.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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