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CAS RN: 1398571-73-7
(2S,5R)-5-aminotetrahydro-2H-pyran-2-carboxamide hydrochloride
- Product code: SSC-050378
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1398571-73-7 / (2S,5R)-5-aminooxane-2-carboxamide;hydrochloride
Basic Information
CAS
1398571-73-7
Multi CAS
No
Molecular Formula
C6H13ClN2O2
Molecular Weight
180.630000
Exact Mass
180.066555
SMILES
C1C[C@H](OC[C@@H]1N)C(=O)N.Cl
InChI
InChI=1S/C6H12N2O2.ClH/c7-4-1-2-5(6(8)9)10-3-4;/h4-5H,1-3,7H2,(H2,8,9);1H/t4-,5+;/m1./s1
InChIKey
HCCHKTLBHIQDLQ-JBUOLDKXSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
43.39
TPSA
78.34
LogP / Solubility
WLOGP
-0.6
MLOGP
-0.53
XLogP3
-0.6
Consensus LogP
-0.58
Log S (ESOL)
-0.52
Class (ESOL)
Very soluble
Log S (Ali)
-0.61
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.46
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)
-4.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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