CAS RN: 52794-97-5
Carubicin
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260402 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250319 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250310 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20251002 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250223 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260604 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS52794-97-5
- Purity/Analytical Methods: >99.0%
52794-97-5 / (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
Basic Information
CAS
52794-97-5
Multi CAS
Yes
Molecular Formula
C26H28CLNO10
Molecular Weight
550.000000
Exact Mass
549.140174
InChI
InChI=1S/C26H27NO10.ClH/c1-9-21(30)13(27)6-16(36-9)37-15-8-26(35,10(2)28)7-12-18(15)25(34)20-19(23(12)32)22(31)11-4-3-5-14(29)17(11)24(20)33;/h3-5,9,13,15-16,21,29-30,32,34-35H,6-8,27H2,1-2H3;1H/t9-,13-,15-,16-,21+,26-;/m0./s1
InChIKey
WYVYEIZFAUXWKW-SHUUXQFMSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
12
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
11
H-bond donors
6
Molar refractivity
132.7
TPSA
196.84
LogP / Solubility
WLOGP
1.15
MLOGP
1.05
XLogP3
1.15
Consensus LogP
1.12
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.55
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.26
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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