Roxburghine
TL;DR: Roxburghine (CAS 30908-03-3) is a chemical compound with molecular formula C31H32N4O2 and molecular weight 492.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methyl-4,14,21,31-tetrazaoctacyclo[15.15.0.02,14.03,11.05,10.019,31.020,28.022,27]dotriaconta-3(11),5,7,9,15,20(28),22,24,26-nonaene-16-carboxylate
Also Known As: Roxburghine, Roxburghin, Roxburghine D, Roxburghin D, ROXBURGHINE A
| Molecular Formula | C31H32N4O2 |
|---|---|
| Molecular Weight | 492.25 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 492.25253 |
| Heavy Atoms | 37 |
| Complexity | 969.0 |
Chemical Identifiers
| CAS Number | 30908-03-3 |
|---|---|
| SMILES | CC12C3CN4CCC5=C(C4CC3C(=CN1CCC6=C2NC7=CC=CC=C67)C(=O)OC)NC8=CC=CC=C58 |
| InChIKey | SHKMVIVFLHPOSB-UHFFFAOYSA-N |
Product Overview
Roxburghine (CAS 30908-03-3), with molecular formula C31H32N4O2 and molecular weight 492.25 g/mol. IUPAC: methyl 2-methyl-4,14,21,31-tetrazaoctacyclo[15.15.0.02,14.03,11.05,10.019,31.020,28.022,27]dotriaconta-3(11),5,7,9,15,20(28),22,24,26-nonaene-16-carboxylate.
Chemical Property Profile of Roxburghine
Property Insights of Roxburghine
The XLogP value of 4.4 indicates that Roxburghine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Roxburghine. Following Lipinski's Rule of Five, Roxburghine has 2 hydrogen bond donor(s) and 4 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 Roxburghine?
The CAS number of Roxburghine is 30908-03-3.
What is the molecular formula of Roxburghine?
The molecular formula of Roxburghine is C31H32N4O2.
What is the molecular weight of Roxburghine?
The molecular weight of Roxburghine is 492.25 g/mol.
Where can I buy Roxburghine?
You can request a quote for Roxburghine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Roxburghine?
Yes, KEHONG BIO provides custom synthesis services for Roxburghine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.