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CAS 33994-44-4 Methyl 3-(4-Iodophenyl)propanoate molecular structure lightbox
CAS RN: 33994-44-4

Methyl 3-(4-Iodophenyl)propanoate

  • Product code: SSC-140208
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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: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: >98%
  • Inventory rows with stock: 5
  • 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 33994-44-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >98% 5 In Stock Shanghai Inquiry
0.25g >98% 5 In Stock Hong Kong Inquiry
1g >98% 5 In Stock Shanghai Inquiry
5g >98% 5 In Stock Shenzhen Inquiry
10g >98% 5 In Stock Beijing Inquiry

33994-44-4 / methyl 3-(4-iodophenyl)propanoate

Standard CAS: 33994-44-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
33994-44-4
Multi CAS
Yes
Molecular Formula
C10H11IO2
Molecular Weight
290.100000
Exact Mass
289.980380
InChI
InChI=1S/C10H11IO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-3,5-6H,4,7H2,1H3
InChIKey
LDCXVBUZHUHPAJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
59.5
TPSA
26.3

LogP / Solubility

WLOGP
2.4
MLOGP
2.12
XLogP3
3
Consensus LogP
2.51
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
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)
-2.79

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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