CAS RN: 2103-49-3
N1,N1-Dimethyl-N2-(o-chlorophenyl)formamidine
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.20260129 | 100mg / 250mg / 1g / 5g / 10g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2103-49-3
- Purity/Analytical Methods: >99.0%
2103-49-3 / N'-(2-chlorophenyl)-N,N-dimethylmethanimidamide
Basic Information
CAS
2103-49-3
Multi CAS
No
Molecular Formula
C9H11ClN2
Molecular Weight
182.650000
Exact Mass
182.061076
SMILES
CN(C)C=NC1=CC=CC=C1Cl
InChI
InChI=1S/C9H11ClN2/c1-12(2)7-11-9-6-4-3-5-8(9)10/h3-7H,1-2H3
InChIKey
APKRGIKHQYEHGV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
53.29
TPSA
15.6
LogP / Solubility
WLOGP
2.56
MLOGP
2.25
XLogP3
2.2
Consensus LogP
2.34
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.21
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)
-2.02
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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