CAS RN: 13678-51-8
2-Furfuryl-5-methylfuran
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251104 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS13678-51-8
- Purity/Analytical Methods: >99.0%
13678-51-8 / 2-(furan-2-ylmethyl)-5-methylfuran
Basic Information
CAS
13678-51-8
Multi CAS
No
Molecular Formula
C10H10O2
Molecular Weight
162.180000
Exact Mass
162.068080
SMILES
CC1=CC=C(O1)CC2=CC=CO2
InChI
InChI=1S/C10H10O2/c1-8-4-5-10(12-8)7-9-3-2-6-11-9/h2-6H,7H2,1H3
InChIKey
LWHDEDPRANCGFI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
44.96
TPSA
26.28
LogP / Solubility
WLOGP
2.77
MLOGP
2.43
XLogP3
2.4
Consensus LogP
2.53
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.25
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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- Product Code: starshine_CAS13679-46-4
- Purity/Analytical method: >99.0%
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