Diflomotecan
TL;DR: Diflomotecan (CAS 186668-70-2) is a chemical compound with molecular formula C21H16F2N2O4 and molecular weight 398.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(20R)-20-ethyl-6,7-difluoro-20-hydroxy-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2(11),3,5,7,9,15(21)-heptaene-14,18-dione
Also Known As: Diflomotecan, diflomotecanum, Difloomotecan, Diflomotecan [INN], BN 80915
| Molecular Formula | C21H16F2N2O4 |
|---|---|
| Molecular Weight | 398.11 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 79.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 398.10782 |
| Heavy Atoms | 29 |
| Complexity | 827.0 |
Chemical Identifiers
| CAS Number | 186668-70-2 |
|---|---|
| SMILES | CC[C@]1(CC(=O)OCC2=C1C=C3C4=C(CN3C2=O)C=C5C=C(C(=CC5=N4)F)F)O |
| InChIKey | LFQCJSBXBZRMTN-OAQYLSRUSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diflomotecan (CAS 186668-70-2), with molecular formula C21H16F2N2O4 and molecular weight 398.11 g/mol. IUPAC: (20R)-20-ethyl-6,7-difluoro-20-hydroxy-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2(11),3,5,7,9,15(21)-heptaene-14,18-dione.
Chemical Property Profile of Diflomotecan
Property Insights of Diflomotecan
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diflomotecan. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diflomotecan. Following Lipinski's Rule of Five, Diflomotecan has 1 hydrogen bond donor(s) and 7 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 Diflomotecan?
The CAS number of Diflomotecan is 186668-70-2.
What is the molecular formula of Diflomotecan?
The molecular formula of Diflomotecan is C21H16F2N2O4.
What is the molecular weight of Diflomotecan?
The molecular weight of Diflomotecan is 398.11 g/mol.
Where can I buy Diflomotecan?
You can request a quote for Diflomotecan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diflomotecan?
Yes, KEHONG BIO provides custom synthesis services for Diflomotecan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.