![CAS 1781750-72-8 N-[(4-(Aminomethyl)-2,6-dimethylphenyl]-5-(2,5-dichlorophenyl)-2-furancarboxamide hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1781750-72-8.gif)
CAS RN: 1781750-72-8
N-[(4-(Aminomethyl)-2,6-dimethylphenyl]-5-(2,5-dichlorophenyl)-2-furancarboxamide hydrochloride
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.20260412 | 5mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1781750-72-8
- Purity/Analytical Methods: >99.0%
1781750-72-8 / N-[4-(aminomethyl)-2,6-dimethylphenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide;hydrochloride
Basic Information
CAS
1781750-72-8
Multi CAS
No
Molecular Formula
C20H19Cl3N2O2
Molecular Weight
425.700000
Exact Mass
424.051211
SMILES
CC1=CC(=CC(=C1NC(=O)C2=CC=C(O2)C3=C(C=CC(=C3)Cl)Cl)C)CN.Cl
InChI
InChI=1S/C20H18Cl2N2O2.ClH/c1-11-7-13(10-23)8-12(2)19(11)24-20(25)18-6-5-17(26-18)15-9-14(21)3-4-16(15)22;/h3-9H,10,23H2,1-2H3,(H,24,25);1H
InChIKey
OFDSTJOMVDAKCS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
17
Fraction Csp3
0.15
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
113.17
TPSA
68.26
LogP / Solubility
WLOGP
6
MLOGP
5.31
XLogP3
6
Consensus LogP
5.77
Log S (ESOL)
-6.46
Class (ESOL)
Insoluble
Log S (Ali)
-7.39
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.89
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)
-1.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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