CAS RN: 87462-67-7
9-Iodo-1-nonyne
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.20260529 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS87462-67-7
- Purity/Analytical Methods: >99.0%
87462-67-7 / 9-iodonon-1-yne
Basic Information
CAS
87462-67-7
Multi CAS
No
Molecular Formula
C9H15I
Molecular Weight
250.120000
Exact Mass
250.021850
InChI
InChI=1S/C9H15I/c1-2-3-4-5-6-7-8-9-10/h1H,3-9H2
InChIKey
XFZXUOYGLPXNIR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.78
Rotatable bonds
6
Molar refractivity
55.42
TPSA
0.0000
LogP / Solubility
WLOGP
3.4
MLOGP
2.99
XLogP3
4.8
Consensus LogP
3.73
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.82
Class (SILICOS-IT)
Slightly 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)
-1.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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