[email protected]
CAS 3777-71-7 2-N-HEPTYLFURAN molecular structure lightbox
CAS RN: 3777-71-7

2-N-HEPTYLFURAN

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260123 100g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS3777-71-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

3777-71-7 / 2-heptylfuran

Standard CAS: 3777-71-7 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
3777-71-7
Multi CAS
No
Molecular Formula
C11H18O
Molecular Weight
166.260000
Exact Mass
166.135765
InChI
InChI=1S/C11H18O/c1-2-3-4-5-6-8-11-9-7-10-12-11/h7,9-10H,2-6,8H2,1H3
InChIKey
BHTUFJXTYNLISA-UHFFFAOYSA-N

Physical Properties

Boiling Point
209.00 to 210.00 °C. @ 760.00 mm Hg
Density
0.860-0.866
Physical Description
Liquid; Colourless to yellowish liquid; Nutty, coffee-like aroma
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.64
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
51.17
TPSA
13.14

LogP / Solubility

WLOGP
3.79
MLOGP
3.33
XLogP3
4.7
Consensus LogP
3.94
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.61
Class (SILICOS-IT)
Slightly soluble

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)
-1.04

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

Customers Also Viewed

Get In Touch

Contact Us