[email protected]
CAS 104030-54-8 CARPROPAMID molecular structure lightbox
CAS RN: 104030-54-8

CARPROPAMID

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260620 100mg In stock Inquiry
  • Product code: starshine_CAS104030-54-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

104030-54-8 / 2,2-dichloro-N-[1-(4-chlorophenyl)ethyl]-1-ethyl-3-methylcyclopropane-1-carboxamide

Carpropamid | CHEBI:3434 | ZS46TAN742

Standard CAS: 104030-54-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
104030-54-8
Multi CAS
No
Molecular Formula
C15H18Cl3NO
Molecular Weight
334.700000
Exact Mass
333.045397
SMILES
CCC1(C(C1(Cl)Cl)C)C(=O)NC(C)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H18Cl3NO/c1-4-14(10(3)15(14,17)18)13(20)19-9(2)11-5-7-12(16)8-6-11/h5-10H,4H2,1-3H3,(H,19,20)
InChIKey
RXDMAYSSBPYBFW-UHFFFAOYSA-N
Synonyms
Carpropamid CHEBI:3434 ZS46TAN742 DTXSID4057922 Cyclopropanecarboxamide, 2,2-dichloro-N-(1-(4-chlorophenyl)ethyl)-1-ethyl-3-methyl-

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
84.33
TPSA
29.1

LogP / Solubility

WLOGP
4.74
MLOGP
4.18
XLogP3
4.5
Consensus LogP
4.47
Log S (ESOL)
-4.86
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.25
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.4

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
3

Safety & Transport

Pictogram(s)
Environmental Hazard
GHS Hazard Statements
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, P391, and P501

Customers Also Viewed

Get In Touch

Contact Us