CAS RN: 1821783-96-3
Cis-(2-Methylpyrrolidin-3-Yl)Methanol Hydrochloride(WX601201)
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.20250503 | 50mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1821783-96-3
- Purity/Analytical Methods: >99.0%
1821783-96-3 / [(2R,3R)-2-methylpyrrolidin-3-yl]methanol;hydrochloride
Basic Information
CAS
1821783-96-3
Multi CAS
No
Molecular Formula
C6H14ClNO
Molecular Weight
151.630000
Exact Mass
151.076392
SMILES
C[C@@H]1[C@@H](CCN1)CO.Cl
InChI
InChI=1S/C6H13NO.ClH/c1-5-6(4-8)2-3-7-5;/h5-8H,2-4H2,1H3;1H/t5-,6+;/m1./s1
InChIKey
UPPSCPSGLCWAQT-IBTYICNHSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.91
TPSA
32.26
LogP / Solubility
WLOGP
0.4
MLOGP
0.34
XLogP3
0.4
Consensus LogP
0.38
Log S (ESOL)
-0.97
Class (ESOL)
Very soluble
Log S (Ali)
-1.09
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.1
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)
-3.36
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
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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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