CAS RN: 35761-15-0
(3S)-3,6-diaminohexanoic acid dihydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250113 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS35761-15-0
- Purity/Analytical Methods: >99.0%
35761-15-0 / (3S)-3,6-diaminohexanoic acid;dihydrochloride
Basic Information
CAS
35761-15-0
Multi CAS
No
Molecular Formula
C6H16CL2N2O2
Molecular Weight
219.110000
Exact Mass
218.058883
InChI
InChI=1S/C6H14N2O2.2ClH/c7-3-1-2-5(8)4-6(9)10;;/h5H,1-4,7-8H2,(H,9,10);2*1H/t5-;;/m0../s1
InChIKey
ATIYVUIIEUEADI-XRIGFGBMSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.83
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
53.01
TPSA
89.34
LogP / Solubility
WLOGP
0.37
MLOGP
0.33
XLogP3
0.37
Consensus LogP
0.36
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.99
Class (SILICOS-IT)
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)
-3.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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