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CAS 883226-64-0 1-[(2-methyl-1-benzofuran-3-yl)methyl]-3-(thiophen-2-ylmethyl)urea molecular structure lightbox
CAS RN: 883226-64-0

1-[(2-methyl-1-benzofuran-3-yl)methyl]-3-(thiophen-2-ylmethyl)urea

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3 package records0 with current stock1 grade group
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Batchno.20250426 10mg Out of stock Inquiry
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  • Product code: starshine_CAS883226-64-0
  • Purity/Analytical Methods: >99.0%
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883226-64-0 / 1-[(2-methyl-1-benzofuran-3-yl)methyl]-3-(thiophen-2-ylmethyl)urea

Standard CAS: 883226-64-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
883226-64-0
Multi CAS
No
Molecular Formula
C16H16N2O2S
Molecular Weight
300.400000
Exact Mass
300.093249
InChI
InChI=1S/C16H16N2O2S/c1-11-14(13-6-2-3-7-15(13)20-11)10-18-16(19)17-9-12-5-4-8-21-12/h2-8H,9-10H2,1H3,(H2,17,18,19)
InChIKey
UITFWLJMEZPXOF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
14
Fraction Csp3
0.19
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
84.35
TPSA
54.27

LogP / Solubility

WLOGP
3.8
MLOGP
3.36
XLogP3
2.9
Consensus LogP
3.35
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.25
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-1.85

Drug-likeness / Medicinal Chemistry

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

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