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CAS 208-37-7 BENZO[1,2-B:4,5-B’]BISBENZOFURAN molecular structure lightbox
CAS RN: 208-37-7

BENZO[1,2-B:4,5-B’]BISBENZOFURAN

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251129 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS208-37-7
  • Purity/Analytical Methods: >99.0%
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208-37-7 / 10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene

Standard CAS: 208-37-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
208-37-7
Multi CAS
No
Molecular Formula
C18H10O2
Molecular Weight
258.300000
Exact Mass
258.068080
SMILES
C1=CC=C2C(=C1)C3=CC4=C(C=C3O2)C5=CC=CC=C5O4
InChI
InChI=1S/C18H10O2/c1-3-7-15-11(5-1)13-9-18-14(10-17(13)19-15)12-6-2-4-8-16(12)20-18/h1-10H
InChIKey
RVAFAAJAGUSYCC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
20
H-bond acceptors
2
Molar refractivity
81
TPSA
26.28

LogP / Solubility

WLOGP
5.49
MLOGP
4.83
XLogP3
5.9
Consensus LogP
5.41
Log S (ESOL)
-5.64
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.89
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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