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CAS 16748-29-1 N-ALPHA-METHYL-L-ORNITHINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 16748-29-1

N-ALPHA-METHYL-L-ORNITHINE HYDROCHLORIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260501 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS16748-29-1
  • Purity/Analytical Methods: >99.0%
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16748-29-1 / (2S)-5-amino-2-(methylamino)pentanoic acid

Standard CAS: 16748-29-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16748-29-1
Multi CAS
No
Molecular Formula
C6H14N2O2
Molecular Weight
146.190000
Exact Mass
146.105528
SMILES
CN[C@@H](CCCN)C(=O)O
InChI
InChI=1S/C6H14N2O2/c1-8-5(6(9)10)3-2-4-7/h5,8H,2-4,7H2,1H3,(H,9,10)/t5-/m0/s1
InChIKey
OZRWQPFBXDVLAH-YFKPBYRVSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
38.77
TPSA
75.35

LogP / Solubility

WLOGP
-0.6
MLOGP
-0.54
XLogP3
-3.1
Consensus LogP
-1.41
Log S (ESOL)
-0.04
Class (ESOL)
Very soluble
Log S (Ali)
-0.32
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.71
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.04

Drug-likeness / Medicinal Chemistry

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

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