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CAS 629-66-3 2-Nonadecanone molecular structure lightbox
CAS RN: 629-66-3

2-Nonadecanone

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250811 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS629-66-3
  • Purity/Analytical Methods: >99.0%
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629-66-3 / nonadecan-2-one

Standard CAS: 629-66-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
629-66-3
Multi CAS
Yes
Molecular Formula
C19H38O
Molecular Weight
282.500000
Exact Mass
282.292266
InChI
InChI=1S/C19H38O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20/h3-18H2,1-2H3
InChIKey
IEDKVDCIEARIIU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.95
Rotatable bonds
16
H-bond acceptors
1
Molar refractivity
90.23
TPSA
17.07

LogP / Solubility

WLOGP
6.84
MLOGP
6.03
XLogP3
8.4
Consensus LogP
7.09
Log S (ESOL)
-4.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.09
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
0.41

Drug-likeness / Medicinal Chemistry

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

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