![CAS 145961-79-1 Benzeneacetamide, N-[2,3-dihydro-2-(4-hydroxyphenyl)-1H-inden-1-yl]-α-phenyl-, cis- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/145961-79-1.gif)
CAS RN: 145961-79-1
Benzeneacetamide, N-[2,3-dihydro-2-(4-hydroxyphenyl)-1H-inden-1-yl]-α-phenyl-, cis-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260412 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS145961-79-1
- Purity/Analytical Methods: >99.0%
145961-79-1 / N-[(1S,2R)-2-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-1-yl]-2,2-diphenylacetamide
Basic Information
CAS
145961-79-1
Multi CAS
No
Molecular Formula
C29H25NO2
Molecular Weight
419.500000
Exact Mass
419.188529
SMILES
C1[C@@H]([C@@H](C2=CC=CC=C21)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)O
InChI
InChI=1S/C29H25NO2/c31-24-17-15-20(16-18-24)26-19-23-13-7-8-14-25(23)28(26)30-29(32)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-18,26-28,31H,19H2,(H,30,32)/t26-,28-/m1/s1
InChIKey
ZPORBGGQIAIHNC-IXCJQBJRSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
24
Fraction Csp3
0.14
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
126.6
TPSA
49.33
LogP / Solubility
WLOGP
5.72
MLOGP
5.06
XLogP3
5.8
Consensus LogP
5.53
Log S (ESOL)
-6.27
Class (ESOL)
Insoluble
Log S (Ali)
-7.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.74
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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