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CAS 58313-23-8 Ethyl 3-Iodobenzoate molecular structure lightbox
CAS RN: 58313-23-8

Ethyl 3-Iodobenzoate

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260521 100g In stock Inquiry
Batchno.20251218 1g In stock Inquiry
Batchno.20260602 25g In stock Inquiry
Batchno.20260610 5g Out of stock Inquiry
  • Product code: SSC-166558
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 10g, 100g, 25g
  • Available purity: ≥98%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 58313-23-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 5 In Stock Shenzhen Inquiry
10g ≥98% 5 In Stock Shenzhen Inquiry
100g ≥98% 5 In Stock Beijing Inquiry
25g ≥98% 4 In Stock Shenzhen Inquiry

58313-23-8 / ethyl 3-iodobenzoate

Standard CAS: 58313-23-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58313-23-8
Multi CAS
Yes
Molecular Formula
C9H9IO2
Molecular Weight
276.070000
Exact Mass
275.964730
InChI
InChI=1S/C9H9IO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3
InChIKey
POGCXCWRMMXDAQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
55.12
TPSA
26.3

LogP / Solubility

WLOGP
2.47
MLOGP
2.18
XLogP3
3.8
Consensus LogP
2.82
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.65

Drug-likeness / Medicinal Chemistry

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

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