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CAS 4093-35-0 BROMOPRIDE molecular structure lightbox
CAS RN: 4093-35-0

BROMOPRIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250403 5mg / 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS4093-35-0
  • Purity/Analytical Methods: >99.0%
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4093-35-0 / 4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxybenzamide

Standard CAS: 4093-35-0 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
4093-35-0
Multi CAS
No
Molecular Formula
BC14H22O2Rn3
Molecular Weight
344.250000
Exact Mass
343.089540
InChI
InChI=1S/C14H22BrN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)
InChIKey
GIYAQDDTCWHPPL-UHFFFAOYSA-N

Physical Properties

Melting Point
134-135

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
85.23
TPSA
67.59

LogP / Solubility

WLOGP
2.11
MLOGP
1.88
XLogP3
2.8
Consensus LogP
2.26
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.49
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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