19-epi-Cathenamine
TL;DR: 19-epi-Cathenamine (CAS 73326-87-1) is a chemical compound with molecular formula C21H22N2O3 and molecular weight 350.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,16R,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,14,18-hexaene-19-carboxylate
Also Known As: 19-epi-Cathenamine, Epicathenamine, methyl (1S,16R,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,14,18-hexaene-19-carboxylate, 16,17,20,21-Tetradehydro-19beta-methyl-18-oxayohimban-16-carboxylic acid methyl ester, Methyl 19beta-methyl-16,17,20,21-tetradehydro-18-oxayohimban-16-carboxylate
| Molecular Formula | C21H22N2O3 |
|---|---|
| Molecular Weight | 350.16 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 350.16306 |
| Heavy Atoms | 26 |
| Complexity | 658.0 |
Chemical Identifiers
| CAS Number | 73326-87-1 |
|---|---|
| SMILES | C[C@@H]1C2=CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=CC=CC=C45 |
| InChIKey | BXTHVTLKWJZGAA-YFROIQMUSA-N |
Product Overview
19-epi-Cathenamine (CAS 73326-87-1), with molecular formula C21H22N2O3 and molecular weight 350.16 g/mol. IUPAC: methyl (1S,16R,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,14,18-hexaene-19-carboxylate.
Chemical Property Profile of 19-epi-Cathenamine
Property Insights of 19-epi-Cathenamine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 19-epi-Cathenamine. With a topological polar surface area (TPSA) of 54.6 Ų, 19-epi-Cathenamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 19-epi-Cathenamine 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 19-epi-Cathenamine?
The CAS number of 19-epi-Cathenamine is 73326-87-1.
What is the molecular formula of 19-epi-Cathenamine?
The molecular formula of 19-epi-Cathenamine is C21H22N2O3.
What is the molecular weight of 19-epi-Cathenamine?
The molecular weight of 19-epi-Cathenamine is 350.16 g/mol.
Where can I buy 19-epi-Cathenamine?
You can request a quote for 19-epi-Cathenamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 19-epi-Cathenamine?
Yes, KEHONG BIO provides custom synthesis services for 19-epi-Cathenamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.