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CAS 239-30-5 BENZO[B]NAPHTHO[2,1-D]FURAN molecular structure lightbox
CAS RN: 239-30-5

BENZO[B]NAPHTHO[2,1-D]FURAN

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251113 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS239-30-5
  • Purity/Analytical Methods: >99.0%
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239-30-5 / naphtho[1,2-b][1]benzofuran

Standard CAS: 239-30-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
239-30-5
Multi CAS
No
Molecular Formula
C16H10O
Molecular Weight
218.250000
Exact Mass
218.073165
SMILES
C1=CC=C2C(=C1)C=CC3=C2OC4=CC=CC=C34
InChI
InChI=1S/C16H10O/c1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14/h1-10H
InChIKey
BCBSVZISIWCHFM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
17
H-bond acceptors
1
Molar refractivity
71.23
TPSA
13.14

LogP / Solubility

WLOGP
4.74
MLOGP
4.17
XLogP3
5.4
Consensus LogP
4.77
Log S (ESOL)
-4.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.01
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)
-0.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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