Rauniticine
TL;DR: Rauniticine (CAS 5299-09-2) 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,15S,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: Rauniticine, Indole alkaloid, methyl methyl[?]carboxylate, Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, methyl ester, (19beta,20alpha)-, 16,17-Didehydro-19-methyloxayohimban-16-carboxylic acid methyl ester (Isomer)
| 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 | 5299-09-2 |
|---|---|
| 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-OYWVLEMYSA-N |
Product Overview
Rauniticine (CAS 5299-09-2), with molecular formula C21H24N2O3 and molecular weight 352.18 g/mol. IUPAC: methyl (1S,15S,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 Rauniticine
Property Insights of Rauniticine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Rauniticine. With a topological polar surface area (TPSA) of 54.6 Ų, Rauniticine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Rauniticine 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 Rauniticine?
The CAS number of Rauniticine is 5299-09-2.
What is the molecular formula of Rauniticine?
The molecular formula of Rauniticine is C21H24N2O3.
What is the molecular weight of Rauniticine?
The molecular weight of Rauniticine is 352.18 g/mol.
Where can I buy Rauniticine?
You can request a quote for Rauniticine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rauniticine?
Yes, KEHONG BIO provides custom synthesis services for Rauniticine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.