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CAS 1204329-34-9 BenzaMide, 4-(1-acetyl-4-piperidinyl)-N-(aMinoiMinoMethyl)-3-(trifluoroMethyl)- molecular structure lightbox
CAS RN: 1204329-34-9

BenzaMide, 4-(1-acetyl-4-piperidinyl)-N-(aMinoiMinoMethyl)-3-(trifluoroMethyl)-

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8 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260122 100mg Out of stock Inquiry
Batchno.20260517 10mg In stock Shanghai Inquiry
Batchno.20250809 1mg In stock Shanghai Inquiry
Batchno.20260408 250mg Out of stock Inquiry
Batchno.20250811 25mg In stock Shanghai Inquiry
Batchno.20250222 50mg In stock Shanghai Inquiry
Batchno.20250219 5mg Out of stock 8-10 business days Inquiry
Batchno.20250913 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1204329-34-9
  • Purity/Analytical Methods: >99.0%
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1204329-34-9 / 4-(1-acetylpiperidin-4-yl)-N-(diaminomethylidene)-3-(trifluoromethyl)benzamide

RefChem:926809 | N-(4-(1-acetyl-piperidin-4-yl)-3-trifluoromethylbenzoyl)guanidine | N-(4-(1-acetylpiperidin-4-yl)-3-trifluoromethylbenzoyl)guanidine

Standard CAS: 1204329-34-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1204329-34-9
Multi CAS
Yes
Molecular Formula
C16H19F3N4O2
Molecular Weight
356.340000
Exact Mass
356.146010
SMILES
CC(=O)N1CCC(CC1)C2=C(C=C(C=C2)C(=O)N=C(N)N)C(F)(F)F
InChI
InChI=1S/C16H19F3N4O2/c1-9(24)23-6-4-10(5-7-23)12-3-2-11(14(25)22-15(20)21)8-13(12)16(17,18)19/h2-3,8,10H,4-7H2,1H3,(H4,20,21,22,25)
InChIKey
QMHRLXNEGYTSRV-UHFFFAOYSA-N
Synonyms
RefChem:926809 N-(4-(1-acetyl-piperidin-4-yl)-3-trifluoromethylbenzoyl)guanidine N-(4-(1-acetylpiperidin-4-yl)-3-trifluoromethylbenzoyl)guanidine BI-9627 4-(1-Acetylpiperidin-4-yl)-N-carbamimidoyl-3-(trifluoromethyl)benzamide

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
85.81
TPSA
101.78

LogP / Solubility

WLOGP
1.84
MLOGP
1.64
XLogP3
1.8
Consensus LogP
1.76
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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