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CAS 10113-35-6 2′,6′-Dichloroformanilide molecular structure lightbox
CAS RN: 10113-35-6

2′,6′-Dichloroformanilide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260117 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS10113-35-6
  • Purity/Analytical Methods: >99.0%
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10113-35-6 / N-(2,6-dichlorophenyl)formamide

N-(2,6-dichlorophenyl)formamide | Formamide, N-(2,6-dichlorophenyl)- | 2,6-Dichloroformanilide

Standard CAS: 10113-35-6 Multi CAS: No
Basic Information Computed Properties

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

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