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CAS 103027-41-4 2-Hydrocy-3-iodonaphthalene molecular structure lightbox
CAS RN: 103027-41-4

2-Hydrocy-3-iodonaphthalene

  • Product code: SSC-004447
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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: ≥95%
  • 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 103027-41-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

103027-41-4 / 3-iodonaphthalen-2-ol

3-Iodonaphthalen-2-ol | DTXSID30676313 | RefChem:280107

Standard CAS: 103027-41-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
103027-41-4
Multi CAS
No
Molecular Formula
C10H7IO
Molecular Weight
270.070000
Exact Mass
269.954160
SMILES
C1=CC=C2C=C(C(=CC2=C1)O)I
InChI
InChI=1S/C10H7IO/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6,12H
InChIKey
ORYWNYKNTHPWDG-UHFFFAOYSA-N
Synonyms
3-Iodonaphthalen-2-ol DTXSID30676313 RefChem:280107 DTXCID30627062 2-Hydrocy-3-iodonaphthalene

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.33
TPSA
20.23

LogP / Solubility

WLOGP
3.15
MLOGP
2.78
XLogP3
3.5
Consensus LogP
3.14
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.13

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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