CAS RN: 10113-35-6
2′,6′-Dichloroformanilide
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.20260117 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS10113-35-6
- Purity/Analytical Methods: >99.0%
10113-35-6 / N-(2,6-dichlorophenyl)formamide
N-(2,6-dichlorophenyl)formamide | Formamide, N-(2,6-dichlorophenyl)- | 2,6-Dichloroformanilide
Basic Information
CAS
10113-35-6
Multi CAS
No
Molecular Formula
C7H5Cl2NO
Molecular Weight
190.020000
Exact Mass
188.974819
SMILES
C1=CC(=C(C(=C1)Cl)NC=O)Cl
InChI
InChI=1S/C7H5Cl2NO/c8-5-2-1-3-6(9)7(5)10-4-11/h1-4H,(H,10,11)
InChIKey
CMRLEIHOFQKMCW-UHFFFAOYSA-N
Synonyms
N-(2,6-dichlorophenyl)formamide
Formamide, N-(2,6-dichlorophenyl)-
2,6-Dichloroformanilide
MFCD00464646
2,6-Dichloro-N-formylaniline; 2,6-Dichloroformanilide; 2,6-Dichlorophenylformamide; 2',6'-Dichloroformanilide; N-(2,6-Dichlorophenyl)formamide
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.15
TPSA
29.1
LogP / Solubility
WLOGP
2.56
MLOGP
2.25
XLogP3
1.3
Consensus LogP
2.04
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.26
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
N-2-(BROMOPHENYL)FORMAMIDE 97
- CAS RN: 10113-38-9
- Product Code: starshine_CAS10113-38-9
- Purity/Analytical method: >99.0%
-
N-(2 5-DIMETHYLPHENYL)FORMAMIDE 97
- CAS RN: 10113-40-3
- Product Code: starshine_CAS10113-40-3
- Purity/Analytical method: >99.0%
-
-
-
Tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaen-5-amine
- CAS RN: 10122-95-9
- Product Code: starshine_CAS10122-95-9
- Purity/Analytical method: >99.0%
-
![CAS 10122-95-9 Tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaen-5-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/10122-95-9.gif)
