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CAS 97465-71-9 (6R)-6,7,8,9-Tetrahydro-6β,7α-dihydroxy-1,6-dimethylphenanthro[1,2-b]furan-10,11-dione molecular structure lightbox
CAS RN: 97465-71-9

(6R)-6,7,8,9-Tetrahydro-6β,7α-dihydroxy-1,6-dimethylphenanthro[1,2-b]furan-10,11-dione

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250228 1mg In stock Shanghai Inquiry
Batchno.20250322 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS97465-71-9
  • Purity/Analytical Methods: >99.0%
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97465-71-9 / (6R,7R)-6,7-dihydroxy-1,6-dimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione

Standard CAS: 97465-71-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
97465-71-9
Multi CAS
Yes
Molecular Formula
C18H16O5
Molecular Weight
312.300000
Exact Mass
312.099774
InChI
InChI=1S/C18H16O5/c1-8-7-23-17-10-3-5-11-9(4-6-12(19)18(11,2)22)14(10)16(21)15(20)13(8)17/h3,5,7,12,19,22H,4,6H2,1-2H3/t12-,18-/m1/s1
InChIKey
RTKDBIDPGKCZJS-KZULUSFZSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
11
Fraction Csp3
0.33
H-bond acceptors
5
H-bond donors
2
Molar refractivity
81.44
TPSA
87.74

LogP / Solubility

WLOGP
2.15
MLOGP
1.9
XLogP3
1.2
Consensus LogP
1.75
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
Class (SILICOS-IT)
Poorly 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)
-3.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4

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