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CAS 35599-77-0 TRIDECANE,1-IODO- molecular structure lightbox
CAS RN: 35599-77-0

TRIDECANE,1-IODO-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250702 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS35599-77-0
  • Purity/Analytical Methods: >99.0%
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35599-77-0 / 1-iodotridecane

Standard CAS: 35599-77-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
35599-77-0
Multi CAS
No
Molecular Formula
C13H27I
Molecular Weight
310.260000
Exact Mass
310.115750
InChI
InChI=1S/C13H27I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-13H2,1H3
InChIKey
XGAMQNYEIPCUIZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
11
Molar refractivity
75.35
TPSA
0.0000

LogP / Solubility

WLOGP
5.73
MLOGP
5.06
XLogP3
7.9
Consensus LogP
6.23
Log S (ESOL)
-4.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.75
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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