19-Epiajmalicine
TL;DR: 19-Epiajmalicine (CAS 25532-45-0) is a chemical compound with molecular formula C21H24N2O3 and molecular weight 352.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,15R,16R,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate
Also Known As: Mayumbine, 19-epi-Ajmalicine, 19-Epiajmalicine, 1-Adamantanecarboxylic Acid Ethyl Ester, 16,17-Didehydro-19beta-methyl-18-oxayohimban-16-carboxylic acid methyl ester
| Molecular Formula | C21H24N2O3 |
|---|---|
| Molecular Weight | 352.18 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.17868 |
| Heavy Atoms | 26 |
| Complexity | 606.0 |
Chemical Identifiers
| CAS Number | 25532-45-0 |
|---|---|
| SMILES | C[C@@H]1[C@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=CC=CC=C45 |
| InChIKey | GRTOGORTSDXSFK-XIEZEKGWSA-N |
Product Overview
19-Epiajmalicine (CAS 25532-45-0), with molecular formula C21H24N2O3 and molecular weight 352.18 g/mol. IUPAC: methyl (1S,15R,16R,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate.
Chemical Property Profile of 19-Epiajmalicine
Property Insights of 19-Epiajmalicine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 19-Epiajmalicine. With a topological polar surface area (TPSA) of 54.6 Ų, 19-Epiajmalicine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 19-Epiajmalicine 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-Epiajmalicine?
The CAS number of 19-Epiajmalicine is 25532-45-0.
What is the molecular formula of 19-Epiajmalicine?
The molecular formula of 19-Epiajmalicine is C21H24N2O3.
What is the molecular weight of 19-Epiajmalicine?
The molecular weight of 19-Epiajmalicine is 352.18 g/mol.
Where can I buy 19-Epiajmalicine?
You can request a quote for 19-Epiajmalicine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 19-Epiajmalicine?
Yes, KEHONG BIO provides custom synthesis services for 19-Epiajmalicine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.