![CAS 1205552-76-6 piperidin-4-yl [1,1′-biphenyl]-2-ylcarbamate Hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1205552-76-6.gif)
CAS RN: 1205552-76-6
piperidin-4-yl [1,1′-biphenyl]-2-ylcarbamate Hydrochloride
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.20250917 | 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1205552-76-6
- Purity/Analytical Methods: >99.0%
1205552-76-6 / piperidin-4-yl N-(2-phenylphenyl)carbamate;hydrochloride
Piperidin-4-yl [1,1'-biphenyl]-2-ylcarbamate hydrochloride | MFCD34178754 | starbld0003930
Basic Information
CAS
1205552-76-6
Multi CAS
No
Molecular Formula
C18H21ClN2O2
Molecular Weight
332.800000
Exact Mass
332.129156
SMILES
C1CNCCC1OC(=O)NC2=CC=CC=C2C3=CC=CC=C3.Cl
InChI
InChI=1S/C18H20N2O2.ClH/c21-18(22-15-10-12-19-13-11-15)20-17-9-5-4-8-16(17)14-6-2-1-3-7-14;/h1-9,15,19H,10-13H2,(H,20,21);1H
InChIKey
BVSOMVNDTVNKOX-UHFFFAOYSA-N
Synonyms
Piperidin-4-yl [1,1'-biphenyl]-2-ylcarbamate hydrochloride
MFCD34178754
starbld0003930
SCHEMBL1922779
BVSOMVNDTVNKOX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.28
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
95.12
TPSA
50.36
LogP / Solubility
WLOGP
4.08
MLOGP
3.6
XLogP3
4.08
Consensus LogP
3.92
Log S (ESOL)
-4.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.57
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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