CAS RN: 14401-75-3
4-(4-CHLOROPHENOXY)IODOBENZENE
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.20260601 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS14401-75-3
- Purity/Analytical Methods: >99.0%
14401-75-3 / 1-(3,5-dinitrophenyl)ethanone
Basic Information
CAS
14401-75-3
Multi CAS
No
Molecular Formula
C8H6N2O5
Molecular Weight
210.140000
Exact Mass
210.027671
SMILES
CC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C8H6N2O5/c1-5(11)6-2-7(9(12)13)4-8(3-6)10(14)15/h2-4H,1H3
InChIKey
WGJQPJOLPLYFJH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
49.76
TPSA
103.35
LogP / Solubility
WLOGP
1.71
MLOGP
1.5
XLogP3
1.3
Consensus LogP
1.5
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P264+P265, P272, P280, P302+P352, P305+P354+P338, P317, P321, P333+P317, P362+P364, and P501
Customers Also Viewed
-
-
SODIUM NITROPRUSSIDE
- CAS RN: 14402-89-2
- Product Code: starshine_CAS14402-89-2
- Purity/Analytical method: >99.0%
-
L-B-IMIDAZOLELACTIC ACID, MONOHYDRATE
- CAS RN: 14403-45-3
- Product Code: starshine_CAS14403-45-3
- Purity/Analytical method: >99.0%
-
DICARBONYL(CHLORO)RHODIUM(I), DIMER
- CAS RN: 14404-25-2
- Product Code: starshine_CAS14404-25-2
- Purity/Analytical method: >99.0%
-
-
2-Chloro-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]acetamide
- CAS RN: 14405-03-9
- Product Code: starshine_CAS14405-03-9
- Purity/Analytical method: >99.0%
![CAS 14405-03-9 2-Chloro-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]acetamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/14405-03-9.gif)