CAS RN: 1272756-18-9
1-Methyl-2-oxopyrrolidine-4-carboxaMidine Hydrochloride
- Product code: SSC-034803
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, 1g, 5g
- Available purity: >95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1272756-18-9 / 1-methyl-5-oxopyrrolidine-3-carboximidamide;hydrochloride
Basic Information
CAS
1272756-18-9
Multi CAS
No
Molecular Formula
C6H12ClN3O
Molecular Weight
177.630000
Exact Mass
177.066890
SMILES
CN1CC(CC1=O)C(=N)N.Cl
InChI
InChI=1S/C6H11N3O.ClH/c1-9-3-4(6(7)8)2-5(9)10;/h4H,2-3H2,1H3,(H3,7,8);1H
InChIKey
WCJJEIRORBGPRM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
44.91
TPSA
70.18
LogP / Solubility
WLOGP
-0.18
MLOGP
-0.16
XLogP3
-0.18
Consensus LogP
-0.17
Log S (ESOL)
-0.76
Class (ESOL)
Very soluble
Log S (Ali)
-0.89
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.79
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)
-3.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
-
3-AMino-N,N-diMethylpiperidine-1-carboxaMide
- CAS RN: 1272756-20-3
- Product Code: SSC-034805
-
1-(2-Methoxyethyl)-2-oxopyrrolidine-4-carboxaMidine Hydrochloride
- CAS RN: 1272756-21-4
- Product Code: SSC-034806
-
Ethyl 4-Oxospiro[1,2,3,4-tetrahydroquinazoline-2,1′-cyclopentane]-5-carboxylate
- CAS RN: 1272756-22-5
- Product Code: SSC-034807
-
3-[4-(Methylsulfonyl)phenyl]-5-(1-Boc-4-piperidyl)-1,2,4-oxadiazole
- CAS RN: 1272756-23-6
- Product Code: SSC-034808
-
![CAS 1272756-22-5 Ethyl 4-Oxospiro[1,2,3,4-tetrahydroquinazoline-2,1′-cyclopentane]-5-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1272756-22-5.gif)
![CAS 1272756-23-6 3-[4-(Methylsulfonyl)phenyl]-5-(1-Boc-4-piperidyl)-1,2,4-oxadiazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1272756-23-6.gif)
