Calpaurine
TL;DR: Calpaurine (CAS 103847-10-5) is a chemical compound with molecular formula C20H27N3O5 and molecular weight 389.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(12,13-dihydroxy-14-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl) 1H-pyrrole-2-carboxylate
Also Known As: Calpaurine, 3,4-dihydroxy-2-oxospartein-13-yl 1h-pyrrole-2-carboxylate, 1H-Pyrrole-2-carboxylic acid, (2S,7S,7aR,9R,10S,14S,14aS)-dodecahydro-9,10-dihydroxy-11-oxo-7,14-methano-2H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocin-2-yl ester
| Molecular Formula | C20H27N3O5 |
|---|---|
| Molecular Weight | 389.20 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 389.19507 |
| Heavy Atoms | 28 |
| Complexity | 645.0 |
Chemical Identifiers
| CAS Number | 103847-10-5 |
|---|---|
| SMILES | C1CN2CC3CC(C2CC1OC(=O)C4=CC=CN4)CN5C3CC(C(C5=O)O)O |
| InChIKey | JCBFTVVDJBFDDD-UHFFFAOYSA-N |
Product Overview
Calpaurine (CAS 103847-10-5), with molecular formula C20H27N3O5 and molecular weight 389.20 g/mol. IUPAC: (12,13-dihydroxy-14-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl) 1H-pyrrole-2-carboxylate.
Chemical Property Profile of Calpaurine
Property Insights of Calpaurine
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Calpaurine. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Calpaurine. Following Lipinski's Rule of Five, Calpaurine has 3 hydrogen bond donor(s) and 6 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 Calpaurine?
The CAS number of Calpaurine is 103847-10-5.
What is the molecular formula of Calpaurine?
The molecular formula of Calpaurine is C20H27N3O5.
What is the molecular weight of Calpaurine?
The molecular weight of Calpaurine is 389.20 g/mol.
Where can I buy Calpaurine?
You can request a quote for Calpaurine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calpaurine?
Yes, KEHONG BIO provides custom synthesis services for Calpaurine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.