Cabucine
TL;DR: Cabucine (CAS 16812-97-8) is a chemical compound with molecular formula C22H26N2O4 and molecular weight 382.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,15R,16S,20S)-7-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate
Also Known As: Cabucine, Heterophylline (Rauwolfia), 16,17-Didehydro-10-methoxy-19alpha-methyl-18-oxayohimban-16-carboxylic acid methyl ester, Methyl 10-methoxy-19alpha-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate, methyl (1S,15R,16S,20S)-7-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate
| Molecular Formula | C22H26N2O4 |
|---|---|
| Molecular Weight | 382.19 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 63.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 382.18927 |
| Heavy Atoms | 28 |
| Complexity | 652.0 |
Chemical Identifiers
| CAS Number | 16812-97-8 |
|---|---|
| SMILES | C[C@H]1[C@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=C4C=C(C=C5)OC |
| InChIKey | DTDADHMBRZKXSC-IEGSVRCHSA-N |
Product Overview
Cabucine (CAS 16812-97-8), with molecular formula C22H26N2O4 and molecular weight 382.19 g/mol. IUPAC: methyl (1S,15R,16S,20S)-7-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate.
Chemical Property Profile of Cabucine
Property Insights of Cabucine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cabucine. The TPSA of 63.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Cabucine. Following Lipinski's Rule of Five, Cabucine 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 Cabucine?
The CAS number of Cabucine is 16812-97-8.
What is the molecular formula of Cabucine?
The molecular formula of Cabucine is C22H26N2O4.
What is the molecular weight of Cabucine?
The molecular weight of Cabucine is 382.19 g/mol.
Where can I buy Cabucine?
You can request a quote for Cabucine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cabucine?
Yes, KEHONG BIO provides custom synthesis services for Cabucine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.