CAS RN: 103408-15-7
2-Iodo-naphthalene-1-carbonitrile
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260115 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS103408-15-7
- Purity/Analytical Methods: >99.0%
103408-15-7 / 2-iodonaphthalene-1-carbonitrile
2-Iodo-naphthalene-1-carbonitrile | DTXSID70454773 | RefChem:262249
Basic Information
CAS
103408-15-7
Multi CAS
No
Molecular Formula
C11H6IN
Molecular Weight
279.080000
Exact Mass
278.954500
SMILES
C1=CC=C2C(=C1)C=CC(=C2C#N)I
InChI
InChI=1S/C11H6IN/c12-11-6-5-8-3-1-2-4-9(8)10(11)7-13/h1-6H
InChIKey
SWHPIWBSWYNFHB-UHFFFAOYSA-N
Synonyms
2-Iodo-naphthalene-1-carbonitrile
DTXSID70454773
RefChem:262249
DTXCID60405592
2-iodonaphthalene-1-carbonitrile
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
1
Molar refractivity
61.38
TPSA
23.79
LogP / Solubility
WLOGP
3.32
MLOGP
2.93
XLogP3
3.5
Consensus LogP
3.25
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.23
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.07
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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