CAS RN: 104267-73-4
10-HYDROXY-9-NITROCAMPTOTHECIN
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250802 | 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS104267-73-4
- Purity/Analytical Methods: >99.0%
104267-73-4 / (19S)-19-ethyl-7,19-dihydroxy-8-nitro-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
9-Hydroxy-10-nitrocamptothecin | 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4-ethyl-4,9-dihydroxy-10-nitro-, (4S)- | RefChem:313141
Basic Information
CAS
104267-73-4
Multi CAS
Yes
Molecular Formula
C20H15N3O7
Molecular Weight
409.300000
Exact Mass
409.091000
SMILES
CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5[N+](=O)[O-])O)N=C4C3=C2)O
InChI
InChI=1S/C20H15N3O7/c1-2-20(27)12-6-14-16-9(7-22(14)18(25)11(12)8-30-19(20)26)5-10-13(21-16)3-4-15(24)17(10)23(28)29/h3-6,24,27H,2,7-8H2,1H3/t20-/m0/s1
InChIKey
DTZABKRGTMUGCV-FQEVSTJZSA-N
Synonyms
9-Hydroxy-10-nitrocamptothecin
1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4-ethyl-4,9-dihydroxy-10-nitro-, (4S)-
RefChem:313141
10-HYDROXY-9-NITROCAMPTOTHECIN
(19S)-19-ethyl-7,19-dihydroxy-8-nitro-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
16
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
9
H-bond donors
2
Molar refractivity
102.84
TPSA
144.79
LogP / Solubility
WLOGP
1.69
MLOGP
1.52
XLogP3
1
Consensus LogP
1.4
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.97
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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