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CAS 4900-30-5 1,8-Nonadiene molecular structure lightbox
CAS RN: 4900-30-5

1,8-Nonadiene

  • Product code: SSC-155502
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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: 5ml
  • Available purity: ≥98%
  • 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 4900-30-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5ml ≥98% 0 Out of Stock Beijing Inquiry

4900-30-5 / nona-1,8-diene

Standard CAS: 4900-30-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4900-30-5
Multi CAS
No
Molecular Formula
C9H16
Molecular Weight
124.220000
Exact Mass
124.125201
InChI
InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h3-4H,1-2,5-9H2
InChIKey
VJHGSLHHMIELQD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.56
Rotatable bonds
6
Molar refractivity
43.48
TPSA
0.0000

LogP / Solubility

WLOGP
3.31
MLOGP
2.9
XLogP3
4.1
Consensus LogP
3.44
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.93
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.13

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
1.5

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