Roxburghine B
TL;DR: Roxburghine B (CAS 27932-46-3) 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 (1S,2R,17S,19R)-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 B, Roxburghine, methyl (1S,2R,17S,19R)-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, Methyl (5bR,6aS,16bR,16cS)-16b-methyl-5,5b,6,6a,10,11,16,16b,16c,17,19,20-dodecahydrobisindolo[2',3':3,4]pyrido[2,1-a:2',1'-g][2,7]naphthyridine-7-carboxylate
| 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 | 27932-46-3 |
|---|---|
| SMILES | C[C@]12[C@@H]3CN4CCC5=C([C@H]4C[C@@H]3C(=CN1CCC6=C2NC7=CC=CC=C67)C(=O)OC)NC8=CC=CC=C58 |
| InChIKey | SHKMVIVFLHPOSB-TVRWTGHXSA-N |
Product Overview
Roxburghine B (CAS 27932-46-3), with molecular formula C31H32N4O2 and molecular weight 492.25 g/mol. IUPAC: methyl (1S,2R,17S,19R)-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 B
Property Insights of Roxburghine B
The XLogP value of 4.4 indicates that Roxburghine B 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 B. Following Lipinski's Rule of Five, Roxburghine B 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 B?
The CAS number of Roxburghine B is 27932-46-3.
What is the molecular formula of Roxburghine B?
The molecular formula of Roxburghine B is C31H32N4O2.
What is the molecular weight of Roxburghine B?
The molecular weight of Roxburghine B is 492.25 g/mol.
Where can I buy Roxburghine B?
You can request a quote for Roxburghine B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Roxburghine B?
Yes, KEHONG BIO provides custom synthesis services for Roxburghine B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.