CAS RN: 1147110-59-5
(3R,5R)-5-(methoxymethyl)pyrrolidin-3-ol 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.20250603 | 100mg / 250mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1147110-59-5
- Purity/Analytical Methods: >99.0%
1147110-59-5 / (3R,5R)-5-(methoxymethyl)pyrrolidin-3-ol;hydrochloride
(3R,5R)-5-(methoxymethyl)pyrrolidin-3-ol hydrochloride | RefChem:401106 | 843-752-2
Basic Information
CAS
1147110-59-5
Multi CAS
Yes
Molecular Formula
C6H14ClNO2
Molecular Weight
167.630000
Exact Mass
167.071306
SMILES
COC[C@H]1C[C@H](CN1)O.Cl
InChI
InChI=1S/C6H13NO2.ClH/c1-9-4-5-2-6(8)3-7-5;/h5-8H,2-4H2,1H3;1H/t5-,6-;/m1./s1
InChIKey
KNMOZBOMDXHCKW-KGZKBUQUSA-N
Synonyms
(3R,5R)-5-(methoxymethyl)pyrrolidin-3-ol hydrochloride
RefChem:401106
843-752-2
(3R,5R)-5-(methoxymethyl)pyrrolidin-3-ol;hydrochloride
MFCD29763414
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
41.54
TPSA
41.49
LogP / Solubility
WLOGP
-0.22
MLOGP
-0.2
XLogP3
-0.22
Consensus LogP
-0.21
Log S (ESOL)
-0.61
Class (ESOL)
Very soluble
Log S (Ali)
-0.77
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.8
Class (SILICOS-IT)
Very 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)
-3.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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