CAS RN: 336182-05-9
(S)-3-AMINOADIPIC ACID 6-AMIDE HYDROCHLORIDE
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.20260426 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS336182-05-9
- Purity/Analytical Methods: >99.0%
336182-05-9 / (3S)-3,6-diamino-6-oxohexanoic acid;hydrochloride
Basic Information
CAS
336182-05-9
Multi CAS
Yes
Molecular Formula
C6H13CLN2O3
Molecular Weight
196.630000
Exact Mass
196.061470
InChI
InChI=1S/C6H12N2O3.ClH/c7-4(3-6(10)11)1-2-5(8)9;/h4H,1-3,7H2,(H2,8,9)(H,10,11);1H/t4-;/m0./s1
InChIKey
UCMJADDIUIIUTC-WCCKRBBISA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.67
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
45.9
TPSA
106.41
LogP / Solubility
WLOGP
-0.52
MLOGP
-0.46
XLogP3
-0.52
Consensus LogP
-0.5
Log S (ESOL)
-0.4
Class (ESOL)
Very soluble
Log S (Ali)
-0.79
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.1
Class (SILICOS-IT)
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)
-4.29
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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