[email protected]
CAS 228857-49-6 2-Pyrrolidinemethanol,alpha,1-dimethyl-,(2S)-(9CI) molecular structure lightbox
CAS RN: 228857-49-6

2-Pyrrolidinemethanol,alpha,1-dimethyl-,(2S)-(9CI)

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250624 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS228857-49-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

228857-49-6 / 1-[(2S)-1-methylpyrrolidin-2-yl]ethanol

Standard CAS: 228857-49-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
228857-49-6
Multi CAS
No
Molecular Formula
C7H15NO
Molecular Weight
129.200000
Exact Mass
129.115364
SMILES
CC([C@@H]1CCCN1C)O
InChI
InChI=1S/C7H15NO/c1-6(9)7-4-3-5-8(7)2/h6-7,9H,3-5H2,1-2H3/t6?,7-/m0/s1
InChIKey
LGZVZTBBCKQEPT-MLWJPKLSSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.33
TPSA
23.47

LogP / Solubility

WLOGP
0.46
MLOGP
0.4
XLogP3
0.6
Consensus LogP
0.49
Log S (ESOL)
-0.87
Class (ESOL)
Very soluble
Log S (Ali)
-0.95
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-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)
-3.18

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)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H227 (100%): Combustible liquid [Warning Flammable liquids] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us