![CAS 2204290-99-1 Carbamic acid, N-[cis-3-(methylamino)cyclobutyl]-, phenylmethyl ester, hydrochloride (1:1) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2204290-99-1.gif)
CAS RN: 2204290-99-1
Carbamic acid, N-[cis-3-(methylamino)cyclobutyl]-, phenylmethyl ester, hydrochloride (1:1)
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250523 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2204290-99-1
- Purity/Analytical Methods: >99.0%
2204290-99-1 / benzyl N-[3-(methylamino)cyclobutyl]carbamate;hydrochloride
Basic Information
CAS
2204290-99-1
Multi CAS
No
Molecular Formula
C13H19ClN2O2
Molecular Weight
270.750000
Exact Mass
270.113506
SMILES
CNC1CC(C1)NC(=O)OCC2=CC=CC=C2.Cl
InChI
InChI=1S/C13H18N2O2.ClH/c1-14-11-7-12(8-11)15-13(16)17-9-10-5-3-2-4-6-10;/h2-6,11-12,14H,7-9H2,1H3,(H,15,16);1H
InChIKey
AFDDDVMJIYXRIF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
72.88
TPSA
50.36
LogP / Solubility
WLOGP
2.09
MLOGP
1.84
XLogP3
2.09
Consensus LogP
2.01
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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