CAS RN: 1630907-30-0
(3R,4S)-rel-4-(Aminomethyl)tetrahydrofuran-3-ol hydrochloride
- Product code: SSC-070785
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 |
1630907-30-0 / (3S,4R)-4-(aminomethyl)oxolan-3-ol;hydrochloride
Basic Information
CAS
1630907-30-0
Multi CAS
No
Molecular Formula
C5H12ClNO2
Molecular Weight
153.610000
Exact Mass
153.055656
SMILES
C1[C@H]([C@@H](CO1)O)CN.Cl
InChI
InChI=1S/C5H11NO2.ClH/c6-1-4-2-8-3-5(4)7;/h4-5,7H,1-3,6H2;1H/t4-,5-;/m1./s1
InChIKey
IQIRTMUGIHHZTM-TYSVMGFPSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
36.62
TPSA
55.48
LogP / Solubility
WLOGP
-0.63
MLOGP
-0.56
XLogP3
-0.63
Consensus LogP
-0.61
Log S (ESOL)
-0.33
Class (ESOL)
Very soluble
Log S (Ali)
-0.37
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.26
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
2.5
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