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CAS 1305322-89-7 (S)-3-Hydroxy-N,N-diMethylpyrrolidine-1-carboxaMide molecular structure lightbox
CAS RN: 1305322-89-7

(S)-3-Hydroxy-N,N-diMethylpyrrolidine-1-carboxaMide

  • Product code: SSC-037160
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 5g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1305322-89-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Shanghai Inquiry
0.25g >95% 2 In Stock Beijing Inquiry
5g >95% 2 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Shanghai Inquiry

1305322-89-7 / (3S)-3-hydroxy-N,N-dimethylpyrrolidine-1-carboxamide

Standard CAS: 1305322-89-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1305322-89-7
Multi CAS
No
Molecular Formula
C7H14N2O2
Molecular Weight
158.200000
Exact Mass
158.105528
SMILES
CN(C)C(=O)N1CC[C@@H](C1)O
InChI
InChI=1S/C7H14N2O2/c1-8(2)7(11)9-4-3-6(10)5-9/h6,10H,3-5H2,1-2H3/t6-/m0/s1
InChIKey
UKRFCLBYZOKZQJ-LURJTMIESA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.86
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.28
TPSA
43.78

LogP / Solubility

WLOGP
-0.27
MLOGP
-0.24
XLogP3
-0.8
Consensus LogP
-0.44
Log S (ESOL)
-0.65
Class (ESOL)
Very soluble
Log S (Ali)
-0.67
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.47
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)
-3.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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