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CAS 18197-46-1 Nonadecanedioic acid,10-oxo- molecular structure lightbox
CAS RN: 18197-46-1

Nonadecanedioic acid,10-oxo-

  • Product code: SSC-082743
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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 18197-46-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

18197-46-1 / 10-oxononadecanedioic acid

Standard CAS: 18197-46-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18197-46-1
Multi CAS
No
Molecular Formula
C19H34O5
Molecular Weight
342.500000
Exact Mass
342.240624
SMILES
C(CCCCC(=O)O)CCCC(=O)CCCCCCCCC(=O)O
InChI
InChI=1S/C19H34O5/c20-17(13-9-5-1-3-7-11-15-18(21)22)14-10-6-2-4-8-12-16-19(23)24/h1-16H2,(H,21,22)(H,23,24)
InChIKey
XOLMOPYKUVSLDQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.84
Rotatable bonds
18
H-bond acceptors
3
H-bond donors
2
Molar refractivity
94.15
TPSA
91.67

LogP / Solubility

WLOGP
4.97
MLOGP
4.39
XLogP3
4.6
Consensus LogP
4.65
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-8.17
Class (SILICOS-IT)
Insoluble

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)
-1.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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