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CAS 7268-65-7 1,19-Nonadecanediol molecular structure lightbox
CAS RN: 7268-65-7

1,19-Nonadecanediol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260129 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS7268-65-7
  • Purity/Analytical Methods: >99.0%
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7268-65-7 / nonadecane-1,19-diol

Standard CAS: 7268-65-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
7268-65-7
Multi CAS
No
Molecular Formula
C19H40O2
Molecular Weight
300.500000
Exact Mass
300.302831
InChI
InChI=1S/C19H40O2/c20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21/h20-21H,1-19H2
InChIKey
XKPKZJWXMSYCHL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
1
Rotatable bonds
18
H-bond acceptors
2
H-bond donors
2
Molar refractivity
92.66
TPSA
40.46

LogP / Solubility

WLOGP
5.6
MLOGP
4.94
XLogP3
7.3
Consensus LogP
5.95
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.42
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)
-0.58

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
2.5

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