[email protected]
CAS 148675-93-8 HEPTADECADIENYL FURAN molecular structure lightbox
CAS RN: 148675-93-8

HEPTADECADIENYL FURAN

  • Product code: SSC-058897
GET A QUOTE
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
Request Bulk Quote

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 148675-93-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

148675-93-8 / 2-[(8Z,11Z)-heptadeca-8,11-dienyl]furan

Standard CAS: 148675-93-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
148675-93-8
Multi CAS
No
Molecular Formula
C21H34O
Molecular Weight
302.500000
Exact Mass
302.260966
SMILES
CCCCC/C=C\C/C=C\CCCCCCCC1=CC=CO1
InChI
InChI=1S/C21H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22-21/h6-7,9-10,17,19-20H,2-5,8,11-16,18H2,1H3/b7-6-,10-9-
InChIKey
LFPVJLHXKMXHPL-HZJYTTRNSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
14
H-bond acceptors
1
Molar refractivity
97.15
TPSA
13.14

LogP / Solubility

WLOGP
7.25
MLOGP
6.39
XLogP3
8.1
Consensus LogP
7.25
Log S (ESOL)
-5.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.32
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
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us