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CAS 72849-43-5 Nonadecan-1,19-disaeure-monomethylester molecular structure lightbox
CAS RN: 72849-43-5

Nonadecan-1,19-disaeure-monomethylester

  • Product code: SSC-182341
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 72849-43-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

72849-43-5 / 19-methoxy-19-oxononadecanoic acid

Standard CAS: 72849-43-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
72849-43-5
Multi CAS
No
Molecular Formula
C20H38O4
Molecular Weight
342.500000
Exact Mass
342.277010
InChI
InChI=1S/C20H38O4/c1-24-20(23)18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19(21)22/h2-18H2,1H3,(H,21,22)
InChIKey
FFKBIYWNBSOIEB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.9
Rotatable bonds
18
H-bond acceptors
3
H-bond donors
1
Molar refractivity
98.14
TPSA
63.6

LogP / Solubility

WLOGP
5.88
MLOGP
5.19
XLogP3
7.3
Consensus LogP
6.12
Log S (ESOL)
-4.48
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.61
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.92
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)
-0.64

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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