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CAS 1713-31-1 1,2-Epoxytridecane molecular structure lightbox
CAS RN: 1713-31-1

1,2-Epoxytridecane

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260526 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1713-31-1
  • Purity/Analytical Methods: >99.0%
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1713-31-1 / 2-undecyloxirane

Standard CAS: 1713-31-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1713-31-1
Multi CAS
No
Molecular Formula
C13H26O
Molecular Weight
198.340000
Exact Mass
198.198365
SMILES
CCCCCCCCCCCC1CO1
InChI
InChI=1S/C13H26O/c1-2-3-4-5-6-7-8-9-10-11-13-12-14-13/h13H,2-12H2,1H3
InChIKey
ZKAPVLMBPUYKKP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
10
H-bond acceptors
1
Molar refractivity
61.58
TPSA
12.53

LogP / Solubility

WLOGP
4.31
MLOGP
3.79
XLogP3
5.7
Consensus LogP
4.6
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.72
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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