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CAS 110798-13-5 D-HOMOARGININE molecular structure lightbox
CAS RN: 110798-13-5

D-HOMOARGININE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250414 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS110798-13-5
  • Purity/Analytical Methods: >99.0%
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110798-13-5 / (2R)-2-amino-6-(diaminomethylideneamino)hexanoic acid

homoarginin | L-Lysine, N6-(aminoiminomethyl)- | 2-amino-6-guanidino-hexanoic acid

Standard CAS: 110798-13-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
110798-13-5
Multi CAS
Yes
Molecular Formula
C7H16N4O2
Molecular Weight
188.230000
Exact Mass
188.127326
SMILES
C(CCN=C(N)N)C[C@H](C(=O)O)N
InChI
InChI=1S/C7H16N4O2/c8-5(6(12)13)3-1-2-4-11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)/t5-/m1/s1
InChIKey
QUOGESRFPZDMMT-RXMQYKEDSA-N
Synonyms
homoarginin L-Lysine, N6-(aminoiminomethyl)- 2-amino-6-guanidino-hexanoic acid 2-amino-6-(diaminomethylideneamino)hexanoic acid SCHEMBL43288

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.71
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
4
Molar refractivity
50.14
TPSA
127.72

LogP / Solubility

WLOGP
-1.16
MLOGP
-1.02
XLogP3
-3.7
Consensus LogP
-1.96
Log S (ESOL)
0.12
Class (ESOL)
Highly soluble
Log S (Ali)
-0.27
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.64
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)
-4.69

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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