CAS RN: 155750-92-8
(1S,2R,4R)-4-amino-2-(hydroxymethyl)cyclopentan-1-ol
- Product code: SSC-065013
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
155750-92-8 / (1S,2R,4R)-4-amino-2-(hydroxymethyl)cyclopentan-1-ol;hydrochloride
Basic Information
CAS
155750-92-8
Multi CAS
No
Molecular Formula
C6H14ClNO2
Molecular Weight
167.630000
Exact Mass
167.071306
SMILES
C1[C@H](C[C@@H]([C@H]1CO)O)N.Cl
InChI
InChI=1S/C6H13NO2.ClH/c7-5-1-4(3-8)6(9)2-5;/h4-6,8-9H,1-3,7H2;1H/t4-,5-,6+;/m1./s1
InChIKey
ZIYICTWRBPHOSE-JMWSHJPJSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
41.04
TPSA
66.48
LogP / Solubility
WLOGP
-0.5
MLOGP
-0.45
XLogP3
-0.5
Consensus LogP
-0.48
Log S (ESOL)
-0.5
Class (ESOL)
Very soluble
Log S (Ali)
-0.57
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.45
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)
-4.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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