![CAS 37777-16-5 3,3′-Bi-7-oxabicyclo[4.1.0]heptane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/37777-16-5.gif)
CAS RN: 37777-16-5
3,3′-Bi-7-oxabicyclo[4.1.0]heptane
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.20260202 | 5g / 25g / 100g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS37777-16-5
- Purity/Analytical Methods: >99.0%
37777-16-5 / 3-(7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane
Basic Information
CAS
37777-16-5
Multi CAS
No
Molecular Formula
C12H18O2
Molecular Weight
194.270000
Exact Mass
194.130680
InChI
InChI=1S/C12H18O2/c1-3-9-11(13-9)5-7(1)8-2-4-10-12(6-8)14-10/h7-12H,1-6H2
InChIKey
CFXPUPHOOWUQRH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
52
TPSA
25.06
LogP / Solubility
WLOGP
2.12
MLOGP
1.87
XLogP3
1.9
Consensus LogP
1.96
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
Class (SILICOS-IT)
Moderately 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)
-2.4
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
5
