CAS RN: 1165450-70-3
(4R)-4-(hydroxyMethyl)-2-Pyrrolidinone
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-016526
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1165450-70-3 / (4R)-4-(hydroxymethyl)pyrrolidin-2-one
4-Hydroxymethyl-pyrrolidin-2-one | RefChem:524045 | 676-316-3
Basic Information
CAS
1165450-70-3
Multi CAS
Yes
Molecular Formula
C5H9NO2
Molecular Weight
115.130000
Exact Mass
115.063329
SMILES
C1[C@H](CNC1=O)CO
InChI
InChI=1S/C5H9NO2/c7-3-4-1-5(8)6-2-4/h4,7H,1-3H2,(H,6,8)/t4-/m1/s1
InChIKey
KTOFYLXSANIPND-SCSAIBSYSA-N
Synonyms
4-Hydroxymethyl-pyrrolidin-2-one
RefChem:524045
676-316-3
4-(hydroxymethyl)pyrrolidin-2-one
4-(Hydroxymethyl)-2-pyrrolidinone
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
28.2
TPSA
49.33
LogP / Solubility
WLOGP
-0.89
MLOGP
-0.79
XLogP3
-1.2
Consensus LogP
-0.96
Log S (ESOL)
0.07
Class (ESOL)
Highly soluble
Log S (Ali)
0.14
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.21
Class (SILICOS-IT)
Highly 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)
-4.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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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