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CAS 630382-89-7 1-(4-Iodophenyl)cyclobutanecarboxylic acid molecular structure lightbox
CAS RN: 630382-89-7

1-(4-Iodophenyl)cyclobutanecarboxylic acid

  • Product code: SSC-172535
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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: 1g, 0.1g, 0.25g, 5g
  • Available purity: ≥95%
  • 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 630382-89-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Shanghai Inquiry
0.1g ≥95% 4 In Stock Beijing Inquiry
0.25g ≥95% 4 In Stock Beijing Inquiry
5g ≥95% 4 In Stock Beijing Inquiry

630382-89-7 / 1-(4-iodophenyl)cyclobutane-1-carboxylic acid

Standard CAS: 630382-89-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
630382-89-7
Multi CAS
No
Molecular Formula
C11H11IO2
Molecular Weight
302.110000
Exact Mass
301.980380
InChI
InChI=1S/C11H11IO2/c12-9-4-2-8(3-5-9)11(10(13)14)6-1-7-11/h2-5H,1,6-7H2,(H,13,14)
InChIKey
WLCKXHXXUWWDCQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
62.32
TPSA
37.3

LogP / Solubility

WLOGP
2.8
MLOGP
2.47
XLogP3
2.9
Consensus LogP
2.72
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.19
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.58

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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