19-epi-3-Isoajmalicine
TL;DR: 19-epi-3-Isoajmalicine (CAS 25532-46-1) 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 (1R,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: isomayumbine, 19-epi-3-Isoajmalicine, 3-Iso-19-epi-ajmalicine, methyl (1R,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, Methyl 19beta-methyl-3beta-16,17-didehydro-18-oxayohimban-16-carboxylate
| 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 | 25532-46-1 |
|---|---|
| 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-BMHLXIAXSA-N |
Product Overview
19-epi-3-Isoajmalicine (CAS 25532-46-1), with molecular formula C21H24N2O3 and molecular weight 352.18 g/mol. IUPAC: methyl (1R,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-epi-3-Isoajmalicine
Property Insights of 19-epi-3-Isoajmalicine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 19-epi-3-Isoajmalicine. With a topological polar surface area (TPSA) of 54.6 Ų, 19-epi-3-Isoajmalicine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 19-epi-3-Isoajmalicine 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-3-Isoajmalicine?
The CAS number of 19-epi-3-Isoajmalicine is 25532-46-1.
What is the molecular formula of 19-epi-3-Isoajmalicine?
The molecular formula of 19-epi-3-Isoajmalicine is C21H24N2O3.
What is the molecular weight of 19-epi-3-Isoajmalicine?
The molecular weight of 19-epi-3-Isoajmalicine is 352.18 g/mol.
Where can I buy 19-epi-3-Isoajmalicine?
You can request a quote for 19-epi-3-Isoajmalicine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 19-epi-3-Isoajmalicine?
Yes, KEHONG BIO provides custom synthesis services for 19-epi-3-Isoajmalicine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.