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CAS 1391052-24-6 BenzaMide, 3,4-bis(cyclopropylMethoxy)-N-(3,5-dichloro-4-pyridinyl)- molecular structure lightbox
CAS RN: 1391052-24-6

BenzaMide, 3,4-bis(cyclopropylMethoxy)-N-(3,5-dichloro-4-pyridinyl)-

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6 package records5 with current stock2 grade groups
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Batchno.20250522 50mg In stock Inquiry
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Batchno.20250424 100mg In stock Shanghai Inquiry
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  • Product code: starshine_CAS1391052-24-6
  • Purity/Analytical Methods: >99.0%
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1391052-24-6 / 3,4-bis(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)benzamide

Standard CAS: 1391052-24-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1391052-24-6
Multi CAS
No
Molecular Formula
C20H20Cl2N2O3
Molecular Weight
407.300000
Exact Mass
406.085098
SMILES
C1CC1COC2=C(C=C(C=C2)C(=O)NC3=C(C=NC=C3Cl)Cl)OCC4CC4
InChI
InChI=1S/C20H20Cl2N2O3/c21-15-8-23-9-16(22)19(15)24-20(25)14-5-6-17(26-10-12-1-2-12)18(7-14)27-11-13-3-4-13/h5-9,12-13H,1-4,10-11H2,(H,23,24,25)
InChIKey
YQDXYEVCMGROIA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
1
Molar refractivity
105.09
TPSA
60.45

LogP / Solubility

WLOGP
5.22
MLOGP
4.62
XLogP3
4.4
Consensus LogP
4.75
Log S (ESOL)
-5.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.67
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.6
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-1.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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