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CAS 56420-45-2 Epirubicin molecular structure lightbox
CAS RN: 56420-45-2

Epirubicin

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250810 100mg Out of stock Inquiry
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  • Product code: starshine_CAS56420-45-2
  • Purity/Analytical Methods: >99.0%
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56420-45-2 / 7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

Standard CAS: 56420-45-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
56420-45-2
Multi CAS
Yes
Molecular Formula
C27H29NO11
Molecular Weight
543.500000
Exact Mass
543.174061
InChI
InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22-,27-/m0/s1
InChIKey
AOJJSUZBOXZQNB-VTZDEGQISA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
12
Fraction Csp3
0.44
Rotatable bonds
5
H-bond acceptors
12
H-bond donors
6
Molar refractivity
131.75
TPSA
206.07

LogP / Solubility

MLOGP
0.04
XLogP3
1.3
Consensus LogP
0.45
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.79
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.03

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8

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