Zoanthoxantin
TL;DR: Zoanthoxantin (CAS 40451-47-6) is a chemical compound with molecular formula C13H16N6 and molecular weight 256.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-N,9-N,5,7-tetramethyl-3,5,11,13-tetrazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,7,9,11-hexaene-4,9-diamine
Also Known As: Zoanthoxantin, Zoanthoxanthine, Zoanthoxanthin, N(6),N(6),3,4-Tetramethyl-3H-cyclohepta(1,2-d:4,5-d')diimidazole-2,6-diamine, 9-N,9-N,5,7-tetramethyl-3,5,11,13-tetrazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,7,9,11-hexaene-4,9-diamine
| Molecular Formula | C13H16N6 |
|---|---|
| Molecular Weight | 256.14 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.14365 |
| Heavy Atoms | 19 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 40451-47-6 |
|---|---|
| SMILES | CC1=CC(=C2C(=NC=N2)C3=C1N(C(=N3)N)C)N(C)C |
| InChIKey | WOYJUCXCGYYVSH-UHFFFAOYSA-N |
Product Overview
Zoanthoxantin (CAS 40451-47-6), with molecular formula C13H16N6 and molecular weight 256.14 g/mol. IUPAC: 9-N,9-N,5,7-tetramethyl-3,5,11,13-tetrazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,7,9,11-hexaene-4,9-diamine.
Chemical Property Profile of Zoanthoxantin
Property Insights of Zoanthoxantin
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Zoanthoxantin. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Zoanthoxantin. Following Lipinski's Rule of Five, Zoanthoxantin has 1 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 Zoanthoxantin?
The CAS number of Zoanthoxantin is 40451-47-6.
What is the molecular formula of Zoanthoxantin?
The molecular formula of Zoanthoxantin is C13H16N6.
What is the molecular weight of Zoanthoxantin?
The molecular weight of Zoanthoxantin is 256.14 g/mol.
Where can I buy Zoanthoxantin?
You can request a quote for Zoanthoxantin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Zoanthoxantin?
Yes, KEHONG BIO provides custom synthesis services for Zoanthoxantin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.