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CAS 56473-67-7 [S,(+)]-3,4-Dihydro-4,9-dihydroxy-2,2-dimethyl-2H-naphtho[2,3-b]pyran-5,10-dione molecular structure lightbox
CAS RN: 56473-67-7

[S,(+)]-3,4-Dihydro-4,9-dihydroxy-2,2-dimethyl-2H-naphtho[2,3-b]pyran-5,10-dione

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251120 5mg Out of stock 30 business days Inquiry
Batchno.20260209 5mg Out of stock Inquiry
  • Product code: starshine_CAS56473-67-7
  • Purity/Analytical Methods: >99.0%
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56473-67-7 / 4,9-dihydroxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione

Standard CAS: 56473-67-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
56473-67-7
Multi CAS
Yes
Molecular Formula
C15H14O5
Molecular Weight
274.270000
Exact Mass
274.084124
InChI
InChI=1S/C15H14O5/c1-15(2)6-9(17)11-12(18)7-4-3-5-8(16)10(7)13(19)14(11)20-15/h3-5,9,16-17H,6H2,1-2H3/t9-/m0/s1
InChIKey
KGIQEUTUJPXAKQ-VIFPVBQESA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
5
H-bond donors
2
Molar refractivity
69.58
TPSA
83.83

LogP / Solubility

WLOGP
1.59
MLOGP
1.4
XLogP3
1.7
Consensus LogP
1.56
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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