Discorhabdin C
TL;DR: Discorhabdin C (CAS 105372-81-4) is a chemical compound with molecular formula C18H13Br2N3O2 and molecular weight 460.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2',6'-dibromo-8-hydroxyspiro[6,10,15-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),8,10,12(16)-pentaene-3,4'-cyclohexa-2,5-diene]-1'-one
Also Known As: Discorhabdin C, Discorhabdine C, NCI60_008280, 2 ,3 ,5 ,7 ,8 ,9 -Hexahydro-3,5-dibromospiro[2,5-cyclohexadiene-1,10 (6 H)-pyrrolo[4,3,2-de][1,7]phenanthroline]-4,6 -dione, 3,5-Dibromo-2',3',5',7',8',9'-hexahydro-6'H-spiro[cyclohexa-2,5-diene-1,10'-pyrrolo[4,3,2-de][1,7]phenanthroline]-4,6'-dione
| Molecular Formula | C18H13Br2N3O2 |
|---|---|
| Molecular Weight | 460.94 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 74.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 460.93744 |
| Heavy Atoms | 25 |
| Complexity | 954.0 |
Chemical Identifiers
| CAS Number | 105372-81-4 |
|---|---|
| SMILES | C1CN=C2C3=C1C=NC3=C(C4=C2C5(CCN4)C=C(C(=O)C(=C5)Br)Br)O |
| InChIKey | AQUBTUIPDMTCAG-UHFFFAOYSA-N |
Product Overview
Discorhabdin C (CAS 105372-81-4), with molecular formula C18H13Br2N3O2 and molecular weight 460.94 g/mol. IUPAC: 2',6'-dibromo-8-hydroxyspiro[6,10,15-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),8,10,12(16)-pentaene-3,4'-cyclohexa-2,5-diene]-1'-one.
Chemical Property Profile of Discorhabdin C
Property Insights of Discorhabdin C
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Discorhabdin C. The TPSA of 74.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Discorhabdin C. Following Lipinski's Rule of Five, Discorhabdin C has 2 hydrogen bond donor(s) and 5 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 Discorhabdin C?
The CAS number of Discorhabdin C is 105372-81-4.
What is the molecular formula of Discorhabdin C?
The molecular formula of Discorhabdin C is C18H13Br2N3O2.
What is the molecular weight of Discorhabdin C?
The molecular weight of Discorhabdin C is 460.94 g/mol.
Where can I buy Discorhabdin C?
You can request a quote for Discorhabdin C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Discorhabdin C?
Yes, KEHONG BIO provides custom synthesis services for Discorhabdin C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.