Calpurnine
TL;DR: Calpurnine (CAS 6874-80-2) is a chemical compound with molecular formula C20H27N3O3 and molecular weight 357.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,4S,9R,10R)-14-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl] 1H-pyrrole-2-carboxylate
Also Known As: Calpurnine, Hoe 933, 13-hydroxylupanine-2-pyrrolecarbonic Acid, 2-Oxospartein-13-yl 1H-pyrrole-2-carboxylate, 13-hydroxy-lupanine-2-pyrrole-carbonic acid
| Molecular Formula | C20H27N3O3 |
|---|---|
| Molecular Weight | 357.21 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.20523 |
| Heavy Atoms | 26 |
| Complexity | 583.0 |
Chemical Identifiers
| CAS Number | 6874-80-2 |
|---|---|
| SMILES | C1C[C@@H]2[C@@H]3C[C@@H](CN2C(=O)C1)[C@@H]4C[C@H](CCN4C3)OC(=O)C5=CC=CN5 |
| InChIKey | YFRYJFMFQOBOSY-WBOSRHFRSA-N |
Product Overview
Calpurnine (CAS 6874-80-2), with molecular formula C20H27N3O3 and molecular weight 357.21 g/mol. IUPAC: [(1S,2S,4S,9R,10R)-14-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl] 1H-pyrrole-2-carboxylate.
Chemical Property Profile of Calpurnine
Property Insights of Calpurnine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Calpurnine. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Calpurnine. Following Lipinski's Rule of Five, Calpurnine has 1 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 Calpurnine?
The CAS number of Calpurnine is 6874-80-2.
What is the molecular formula of Calpurnine?
The molecular formula of Calpurnine is C20H27N3O3.
What is the molecular weight of Calpurnine?
The molecular weight of Calpurnine is 357.21 g/mol.
Where can I buy Calpurnine?
You can request a quote for Calpurnine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calpurnine?
Yes, KEHONG BIO provides custom synthesis services for Calpurnine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.