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CAS 1103738-26-6 (5-Iodo-2-chlorophenyl)(4-ethoxyphenyl)methanone molecular structure lightbox
CAS RN: 1103738-26-6

(5-Iodo-2-chlorophenyl)(4-ethoxyphenyl)methanone

  • Product code: SSC-011459
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1103738-26-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1103738-26-6 / (2-chloro-5-iodophenyl)-(4-ethoxyphenyl)methanone

(2-chloro-5-iodophenyl)(4-ethoxyphenyl)methanone | RQX245VZQ9 | RefChem:1049668

Standard CAS: 1103738-26-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1103738-26-6
Multi CAS
Yes
Molecular Formula
C15H12ClIO2
Molecular Weight
386.610000
Exact Mass
385.957050
SMILES
CCOC1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)I)Cl
InChI
InChI=1S/C15H12ClIO2/c1-2-19-12-6-3-10(4-7-12)15(18)13-9-11(17)5-8-14(13)16/h3-9H,2H2,1H3
InChIKey
BGRJXWMKCUZBIG-UHFFFAOYSA-N
Synonyms
(2-chloro-5-iodophenyl)(4-ethoxyphenyl)methanone RQX245VZQ9 RefChem:1049668 (5-Iodo-2-chlorophenyl)(4-ethoxyphenyl)methanone MFCD18642360

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
85.21
TPSA
26.3

LogP / Solubility

WLOGP
4.57
MLOGP
4.05
XLogP3
4.9
Consensus LogP
4.51
Log S (ESOL)
-5.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.45
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)
-1.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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