CAS RN: 72150-35-7
BZ-PHE-NH2
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.20250114 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS72150-35-7
- Purity/Analytical Methods: >99.0%
72150-35-7 / N-(1-amino-1-oxo-3-phenylpropan-2-yl)benzamide
Basic Information
CAS
72150-35-7
Multi CAS
Yes
Molecular Formula
C16H16N2O2
Molecular Weight
268.310000
Exact Mass
268.121178
InChI
InChI=1S/C16H16N2O2/c17-15(19)14(11-12-7-3-1-4-8-12)18-16(20)13-9-5-2-6-10-13/h1-10,14H,11H2,(H2,17,19)(H,18,20)/t14-/m0/s1
InChIKey
GDJKEUNPXYLPHG-AWEZNQCLSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
77.04
TPSA
72.19
LogP / Solubility
WLOGP
1.51
MLOGP
1.34
XLogP3
1.6
Consensus LogP
1.48
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.26
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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