![CAS 210405-34-8 4-iodo-4′-[(1-naphthyl)phenylamino]biphenyl molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/210405-34-8.png)
CAS RN: 210405-34-8
4-iodo-4′-[(1-naphthyl)phenylamino]biphenyl
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260624 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINI927171
210405-34-8 / N-[4-(4-iodophenyl)phenyl]-N-phenylnaphthalen-1-amine
Basic Information
CAS
210405-34-8
Multi CAS
No
Molecular Formula
C28H20IN
Molecular Weight
497.400000
Exact Mass
497.064050
SMILES
C1=CC=C(C=C1)N(C2=CC=C(C=C2)C3=CC=C(C=C3)I)C4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C28H20IN/c29-24-17-13-21(14-18-24)22-15-19-26(20-16-22)30(25-9-2-1-3-10-25)28-12-6-8-23-7-4-5-11-27(23)28/h1-20H
InChIKey
VNUAISPZCOORFP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
28
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
136.78
TPSA
3.24
LogP / Solubility
WLOGP
8.58
MLOGP
7.59
XLogP3
8.7
Consensus LogP
8.29
Log S (ESOL)
-8.76
Class (ESOL)
Insoluble
Log S (Ali)
-9.83
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.5
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)
0.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
4-PENTENAL
- CAS RN: 2100-17-6
- Product Code: starshine_CAS2100-17-6
- Purity/Analytical method: >99.0%
-
-
-
-
-
