![CAS 934387-35-6 [1,1′-Biphenyl]-3-carboxamide, 6-(1-aminoethyl)-4′-fluoro-N-4-pyridinyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/934387-35-6.gif)
CAS RN: 934387-35-6
[1,1′-Biphenyl]-3-carboxamide, 6-(1-aminoethyl)-4′-fluoro-N-4-pyridinyl-
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260510 | 10mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS934387-35-6
- Purity/Analytical Methods: >99.0%
934387-35-6 / 4-(1-aminoethyl)-3-(4-fluorophenyl)-N-pyridin-4-ylbenzamide
Basic Information
CAS
934387-35-6
Multi CAS
No
Molecular Formula
C20FH18N3O
Molecular Weight
335.400000
Exact Mass
335.143390
InChI
InChI=1S/C20H18FN3O/c1-13(22)18-7-4-15(20(25)24-17-8-10-23-11-9-17)12-19(18)14-2-5-16(21)6-3-14/h2-13H,22H2,1H3,(H,23,24,25)
InChIKey
JJNXXPMAFUVGRU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
96.63
TPSA
68.01
LogP / Solubility
WLOGP
4.16
MLOGP
3.68
XLogP3
2.7
Consensus LogP
3.51
Log S (ESOL)
-4.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.77
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)
-1.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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