CAS RN: 149596-90-7
(S)-N,N-DiMethyl-2-pyrrolidinecarboxaMide HCl
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.20250807 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS149596-90-7
- Purity/Analytical Methods: >99.0%
149596-90-7 / (2S)-N,N-dimethylpyrrolidine-2-carboxamide;hydrochloride
Basic Information
CAS
149596-90-7
Multi CAS
No
Molecular Formula
C7H15ClN2O
Molecular Weight
178.660000
Exact Mass
178.087291
SMILES
CN(C)C(=O)[C@@H]1CCCN1.Cl
InChI
InChI=1S/C7H14N2O.ClH/c1-9(2)7(10)6-4-3-5-8-6;/h6,8H,3-5H2,1-2H3;1H/t6-;/m0./s1
InChIKey
LJPOVCMGNNCPFL-RGMNGODLSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.97
TPSA
32.34
LogP / Solubility
WLOGP
0.25
MLOGP
0.22
XLogP3
0.25
Consensus LogP
0.24
Log S (ESOL)
-1.04
Class (ESOL)
Soluble
Log S (Ali)
-1.2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.15
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)
-3.63
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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