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CAS 182296-65-7 1,1′-bislusianthridin molecular structure lightbox
CAS RN: 182296-65-7

1,1′-bislusianthridin

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250609 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS182296-65-7
  • Purity/Analytical Methods: >99.0%
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182296-65-7 / 8-(4,7-dihydroxy-2-methoxy-9,10-dihydrophenanthren-1-yl)-7-methoxy-9,10-dihydrophenanthrene-2,5-diol

Standard CAS: 182296-65-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
182296-65-7
Multi CAS
No
Molecular Formula
C30H26O6
Molecular Weight
482.500000
Exact Mass
482.172939
SMILES
COC1=C(C2=C(C3=C(CC2)C=C(C=C3)O)C(=C1)O)C4=C(C=C(C5=C4CCC6=C5C=CC(=C6)O)O)OC
InChI
InChI=1S/C30H26O6/c1-35-25-13-23(33)27-19-9-5-17(31)11-15(19)3-7-21(27)29(25)30-22-8-4-16-12-18(32)6-10-20(16)28(22)24(34)14-26(30)36-2/h5-6,9-14,31-34H,3-4,7-8H2,1-2H3
InChIKey
RMPVPCOAQGDYKB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
24
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
4
Molar refractivity
137.33
TPSA
99.38

LogP / Solubility

WLOGP
5.72
MLOGP
5.07
XLogP3
5.9
Consensus LogP
5.56
Log S (ESOL)
-6.73
Class (ESOL)
Insoluble
Log S (Ali)
-7.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.91
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

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