CAS RN: 121080-96-4
D-HOMOCITRULLINE
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.20250520 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS121080-96-4
- Purity/Analytical Methods: >99.0%
121080-96-4 / (2R)-2-amino-6-(carbamoylamino)hexanoic acid
2-Amino-6-ureidohexanoic acid | DTXSID70282694 | RefChem:255864
Basic Information
CAS
121080-96-4
Multi CAS
Yes
Molecular Formula
C7H15N3O3
Molecular Weight
189.210000
Exact Mass
189.111341
SMILES
C(CCNC(=O)N)C[C@H](C(=O)O)N
InChI
InChI=1S/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)/t5-/m1/s1
InChIKey
XIGSAGMEBXLVJJ-RXMQYKEDSA-N
Synonyms
2-Amino-6-ureidohexanoic acid
DTXSID70282694
RefChem:255864
DTXCID50233846
DL-Homocitrulline
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
47.05
TPSA
118.44
LogP / Solubility
WLOGP
-0.76
MLOGP
-0.67
XLogP3
-3.9
Consensus LogP
-1.78
Log S (ESOL)
-0.14
Class (ESOL)
Very soluble
Log S (Ali)
-0.56
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.98
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)
-4.42
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
