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CAS 141650-31-9 4,4′-(2-HYDROXY-1,3-PROPANDIYLDIOXY)BIS(2-PHENYLACETAMIDE) molecular structure lightbox
CAS RN: 141650-31-9

4,4′-(2-HYDROXY-1,3-PROPANDIYLDIOXY)BIS(2-PHENYLACETAMIDE)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250906 25mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS141650-31-9
  • Purity/Analytical Methods: >99.0%
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141650-31-9 / 2-[4-[3-[4-(2-amino-2-oxoethyl)phenoxy]-2-hydroxypropoxy]phenyl]acetamide

Standard CAS: 141650-31-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
141650-31-9
Multi CAS
No
Molecular Formula
C19H22N2O5
Molecular Weight
358.400000
Exact Mass
358.152872
SMILES
C1=CC(=CC=C1CC(=O)N)OCC(COC2=CC=C(C=C2)CC(=O)N)O
InChI
InChI=1S/C19H22N2O5/c20-18(23)9-13-1-5-16(6-2-13)25-11-15(22)12-26-17-7-3-14(4-8-17)10-19(21)24/h1-8,15,22H,9-12H2,(H2,20,23)(H2,21,24)
InChIKey
RJTRBVLDVHIXNJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.26
Rotatable bonds
10
H-bond acceptors
5
H-bond donors
3
Molar refractivity
95.68
TPSA
124.87

LogP / Solubility

WLOGP
0.56
MLOGP
0.51
XLogP3
0.6
Consensus LogP
0.56
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.66
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.51

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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