![CAS 29103-59-1 N-[3-[(phenylmethyl)amino]phenyl]acetamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/29103-59-1.gif)
CAS RN: 29103-59-1
N-[3-[(phenylmethyl)amino]phenyl]acetamide
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.20251012 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS29103-59-1
- Purity/Analytical Methods: >99.0%
29103-59-1 / N-[3-(benzylamino)phenyl]acetamide
Basic Information
CAS
29103-59-1
Multi CAS
Yes
Molecular Formula
C15H16N2O
Molecular Weight
240.300000
Exact Mass
240.126263
InChI
InChI=1S/C15H16N2O/c1-12(18)17-15-9-5-8-14(10-15)16-11-13-6-3-2-4-7-13/h2-10,16H,11H2,1H3,(H,17,18)
InChIKey
ZTGDAOSRFXNWKJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
74.51
TPSA
41.13
LogP / Solubility
WLOGP
3.26
MLOGP
2.87
XLogP3
2.3
Consensus LogP
2.81
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.41
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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