Tubotaiwine N-oxide
TL;DR: Tubotaiwine N-oxide (CAS 40169-69-5) is a chemical compound with molecular formula C20H24N2O3 and molecular weight 340.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 18-ethyl-14-oxido-8-aza-14-azoniapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate
Also Known As: Tubotaiwine N-oxide, TUBOTAIWINE-N-OXIDE B640928K417, Condyfolan-16-carboxylic acid,16-didehydro-, methyl ester, 4-oxide, Condyfolan-16-carboxylic acid,16-didehydro-,methyl ester,4-oxide, Condyfolan-16-carboxylic acid, 2,16-didehydro-, methyl ester, 4-oxide
| Molecular Formula | C20H24N2O3 |
|---|---|
| Molecular Weight | 340.18 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 56.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.17868 |
| Heavy Atoms | 25 |
| Complexity | 647.0 |
Chemical Identifiers
| CAS Number | 40169-69-5 |
|---|---|
| SMILES | CCC1C2CC[N+]3(C1C4(CC3)C5=CC=CC=C5NC4=C2C(=O)OC)[O-] |
| InChIKey | YNCJDBRZKNLHIH-UHFFFAOYSA-N |
Product Overview
Tubotaiwine N-oxide (CAS 40169-69-5), with molecular formula C20H24N2O3 and molecular weight 340.18 g/mol. IUPAC: methyl 18-ethyl-14-oxido-8-aza-14-azoniapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate.
Chemical Property Profile of Tubotaiwine N-oxide
Property Insights of Tubotaiwine N-oxide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tubotaiwine N-oxide. With a topological polar surface area (TPSA) of 56.4 Ų, Tubotaiwine N-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tubotaiwine N-oxide 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 Tubotaiwine N-oxide?
The CAS number of Tubotaiwine N-oxide is 40169-69-5.
What is the molecular formula of Tubotaiwine N-oxide?
The molecular formula of Tubotaiwine N-oxide is C20H24N2O3.
What is the molecular weight of Tubotaiwine N-oxide?
The molecular weight of Tubotaiwine N-oxide is 340.18 g/mol.
Where can I buy Tubotaiwine N-oxide?
You can request a quote for Tubotaiwine N-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tubotaiwine N-oxide?
Yes, KEHONG BIO provides custom synthesis services for Tubotaiwine N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.