9-Hydroxy-10-nitrocamptothecin
TL;DR: 9-Hydroxy-10-nitrocamptothecin (CAS 113811-44-2) is a chemical compound with molecular formula C20H15N3O7 and molecular weight 409.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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
Also Known As: 9-Hydroxy-10-nitrocamptothecin, 10-HYDROXY-9-NITROCAMPTOTHECIN, 9-Nitro-10-hydroxycamptothecin, 9-nitro-10-hydroxy camptothecin, KST-1A0648
| Molecular Formula | C20H15N3O7 |
|---|---|
| Molecular Weight | 409.09 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 409.091 |
| Heavy Atoms | 30 |
| Complexity | 893.0 |
Chemical Identifiers
| CAS Number | 113811-44-2 |
|---|---|
| SMILES | CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5[N+](=O)[O-])O)N=C4C3=C2)O |
| InChIKey | DTZABKRGTMUGCV-FQEVSTJZSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9-Hydroxy-10-nitrocamptothecin (CAS 113811-44-2), with molecular formula C20H15N3O7 and molecular weight 409.09 g/mol. IUPAC: (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.
Chemical Property Profile of 9-Hydroxy-10-nitrocamptothecin
Property Insights of 9-Hydroxy-10-nitrocamptothecin
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Hydroxy-10-nitrocamptothecin. The TPSA of 146.0 Ų indicates high polarity, suggesting 9-Hydroxy-10-nitrocamptothecin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9-Hydroxy-10-nitrocamptothecin has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9-Hydroxy-10-nitrocamptothecin?
The CAS number of 9-Hydroxy-10-nitrocamptothecin is 113811-44-2.
What is the molecular formula of 9-Hydroxy-10-nitrocamptothecin?
The molecular formula of 9-Hydroxy-10-nitrocamptothecin is C20H15N3O7.
What is the molecular weight of 9-Hydroxy-10-nitrocamptothecin?
The molecular weight of 9-Hydroxy-10-nitrocamptothecin is 409.09 g/mol.
Where can I buy 9-Hydroxy-10-nitrocamptothecin?
You can request a quote for 9-Hydroxy-10-nitrocamptothecin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Hydroxy-10-nitrocamptothecin?
Yes, KEHONG BIO provides custom synthesis services for 9-Hydroxy-10-nitrocamptothecin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.