CAS RN: 28250-45-5
TRANS-2-HYDROXYMETHYL-1-CYCLOHEXYLAMINE HYDROCHLORIDE
- Product code: SSC-129095
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 | Hong Kong | Inquiry |
28250-45-5 / [(1R,2R)-2-aminocyclohexyl]methanol;hydrochloride
Basic Information
CAS
28250-45-5
Multi CAS
Yes
Molecular Formula
C7H16CLNO
Molecular Weight
165.660000
Exact Mass
165.092042
InChI
InChI=1S/C7H15NO.ClH/c8-7-4-2-1-3-6(7)5-9;/h6-7,9H,1-5,8H2;1H/t6-,7+;/m0./s1
InChIKey
ORPKUPNVXFLMRG-UOERWJHTSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
44.27
TPSA
46.25
LogP / Solubility
WLOGP
0.92
MLOGP
0.8
XLogP3
0.92
Consensus LogP
0.88
Log S (ESOL)
-1.38
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.62
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-3.08
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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