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CAS 60660-75-5 (7S,9S)9-ACETYL-7,8,9,10-TETRAHYDRO-6,7,9,11-TETRAHYDROXY-5,12-NAPHTACENEDIONE molecular structure lightbox
CAS RN: 60660-75-5

(7S,9S)9-ACETYL-7,8,9,10-TETRAHYDRO-6,7,9,11-TETRAHYDROXY-5,12-NAPHTACENEDIONE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250614 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS60660-75-5
  • Purity/Analytical Methods: >99.0%
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60660-75-5 / (7S,9S)-9-acetyl-6,7,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione

Standard CAS: 60660-75-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
60660-75-5
Multi CAS
Yes
Molecular Formula
C20H16O7
Molecular Weight
368.300000
Exact Mass
368.089603
InChI
InChI=1S/C20H16O7/c1-8(21)20(27)6-11-13(12(22)7-20)19(26)15-14(18(11)25)16(23)9-4-2-3-5-10(9)17(15)24/h2-5,12,22,25-27H,6-7H2,1H3/t12-,20-/m0/s1
InChIKey
ZUFQFGSMHXKORU-YUNKPMOVSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
7
H-bond donors
4
Molar refractivity
91.99
TPSA
132.13

LogP / Solubility

WLOGP
1.17
MLOGP
1.05
XLogP3
1.7
Consensus LogP
1.31
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.15
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
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)
-4.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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