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CAS 338455-15-5 3-benzyloxy-5-ethoxy-4-iodo-benzaldehyde molecular structure lightbox
CAS RN: 338455-15-5

3-benzyloxy-5-ethoxy-4-iodo-benzaldehyde

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1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251106 200mg Out of stock 5-7 business days Inquiry
  • Product code: LINB927136
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338455-15-5 / 3-ethoxy-4-iodo-5-phenylmethoxybenzaldehyde

Standard CAS: 338455-15-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
338455-15-5
Multi CAS
No
Molecular Formula
C16H15IO3
Molecular Weight
382.190000
Exact Mass
382.006590
InChI
InChI=1S/C16H15IO3/c1-2-19-14-8-13(10-18)9-15(16(14)17)20-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3
InChIKey
DFHUPMRWINNDTA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
86.49
TPSA
35.53

LogP / Solubility

WLOGP
4.08
MLOGP
3.61
XLogP3
3.8
Consensus LogP
3.83
Log S (ESOL)
-4.83
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.64
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
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.15

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
1.5

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