[email protected]
CAS 216955-79-2 Furo[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-6(8H)-one, 5-(1,3-benzodioxol-5-yl)-5,9-dihydro-, (5R)- molecular structure lightbox
CAS RN: 216955-79-2

Furo[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-6(8H)-one, 5-(1,3-benzodioxol-5-yl)-5,9-dihydro-, (5R)-

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250819 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS216955-79-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

216955-79-2 / (5R)-5-(1,3-benzodioxol-5-yl)-8,9-dihydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one

Standard CAS: 216955-79-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
216955-79-2
Multi CAS
No
Molecular Formula
C20H14O6
Molecular Weight
350.300000
Exact Mass
350.079038
SMILES
C1C2=C([C@@H](C3=CC4=C(C=C31)OCO4)C5=CC6=C(C=C5)OCO6)C(=O)OC2
InChI
InChI=1S/C20H14O6/c21-20-19-12(7-22-20)3-11-5-16-17(26-9-25-16)6-13(11)18(19)10-1-2-14-15(4-10)24-8-23-14/h1-2,4-6,18H,3,7-9H2/t18-/m1/s1
InChIKey
DBOCPTFHTGKHEP-GOSISDBHSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
6
Molar refractivity
88.66
TPSA
63.22

LogP / Solubility

WLOGP
2.69
MLOGP
2.38
XLogP3
2.8
Consensus LogP
2.62
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.29
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

Customers Also Viewed

Get In Touch

Contact Us