12-Amino-20(S)-camptohecin
TL;DR: 12-Amino-20(S)-camptohecin (CAS 58546-28-4) is a chemical compound with molecular formula C20H17N3O4 and molecular weight 363.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(19S)-5-amino-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
Also Known As: 12-Aminocamptothecin, 12-Amino-20(S)-camptohecin, 12-Amino-20(S)-camptothecin, 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione,7-amino-4-ethyl-4-hydroxy-, (4S)-, (19S)-5-amino-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
| Molecular Formula | C20H17N3O4 |
|---|---|
| Molecular Weight | 363.12 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 363.12192 |
| Heavy Atoms | 27 |
| Complexity | 775.0 |
Chemical Identifiers
| CAS Number | 58546-28-4 |
|---|---|
| SMILES | CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C(=C4)C=CC=C5N)O |
| InChIKey | QPUDSTGASYNWEO-FQEVSTJZSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
12-Amino-20(S)-camptohecin (CAS 58546-28-4), with molecular formula C20H17N3O4 and molecular weight 363.12 g/mol. IUPAC: (19S)-5-amino-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione.
Chemical Property Profile of 12-Amino-20(S)-camptohecin
Property Insights of 12-Amino-20(S)-camptohecin
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12-Amino-20(S)-camptohecin. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 12-Amino-20(S)-camptohecin. Following Lipinski's Rule of Five, 12-Amino-20(S)-camptohecin has 2 hydrogen bond donor(s) and 6 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 12-Amino-20(S)-camptohecin?
The CAS number of 12-Amino-20(S)-camptohecin is 58546-28-4.
What is the molecular formula of 12-Amino-20(S)-camptohecin?
The molecular formula of 12-Amino-20(S)-camptohecin is C20H17N3O4.
What is the molecular weight of 12-Amino-20(S)-camptohecin?
The molecular weight of 12-Amino-20(S)-camptohecin is 363.12 g/mol.
Where can I buy 12-Amino-20(S)-camptohecin?
You can request a quote for 12-Amino-20(S)-camptohecin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-Amino-20(S)-camptohecin?
Yes, KEHONG BIO provides custom synthesis services for 12-Amino-20(S)-camptohecin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.