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CAS 70833-07-7 prifuroline molecular structure lightbox
CAS RN: 70833-07-7

prifuroline

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250721 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS70833-07-7
  • Purity/Analytical Methods: >99.0%
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70833-07-7 / 3-(1-benzofuran-2-yl)-N,N-dimethyl-3,4-dihydro-2H-pyrrol-5-amine

Standard CAS: 70833-07-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
70833-07-7
Multi CAS
Yes
Molecular Formula
C14H16N2O
Molecular Weight
228.290000
Exact Mass
228.126263
InChI
InChI=1S/C14H16N2O/c1-16(2)14-8-11(9-15-14)13-7-10-5-3-4-6-12(10)17-13/h3-7,11H,8-9H2,1-2H3
InChIKey
IYMLHOSZPZHXCR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
69.56
TPSA
28.74

LogP / Solubility

WLOGP
2.88
MLOGP
2.54
XLogP3
1.5
Consensus LogP
2.31
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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