Koumine N-oxide
TL;DR: Koumine N-oxide (CAS 113900-75-7) is a chemical compound with molecular formula C20H22N2O2 and molecular weight 322.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
15-ethenyl-13-methyl-13-oxido-19-oxa-3-aza-13-azoniahexacyclo[14.3.1.02,10.04,9.010,15.012,17]icosa-2,4,6,8-tetraene
Also Known As: Koumine N-oxide, KoumineN-oxide, Tryptophan,4-methyl, HY-N3416, 15-ethenyl-13-methyl-13-oxido-19-oxa-3-aza-13-azoniahexacyclo[14.3.1.02,10.04,9.010,15.012,17]icosa-2,4,6,8-tetraene
| Molecular Formula | C20H22N2O2 |
|---|---|
| Molecular Weight | 322.17 g/mol |
| LogP | 2.9481 |
| Topological Polar Surface Area | 44.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 322.16812 |
| Heavy Atoms | 24 |
| Complexity | 815.6118 |
Chemical Identifiers
| CAS Number | 113900-75-7 |
|---|---|
| SMILES | C[N+]1(CC2(C3CC4C5=NC6=CC=CC=C6C52CC1C3CO4)C=C)[O-] |
Product Overview
Koumine N-oxide (CAS 113900-75-7), with molecular formula C20H22N2O2 and molecular weight 322.17 g/mol. IUPAC: 15-ethenyl-13-methyl-13-oxido-19-oxa-3-aza-13-azoniahexacyclo[14.3.1.02,10.04,9.010,15.012,17]icosa-2,4,6,8-tetraene.
Chemical Property Profile of Koumine N-oxide
Property Insights of Koumine N-oxide
The XLogP value of 2.9481 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Koumine N-oxide. With a topological polar surface area (TPSA) of 44.65 Ų, Koumine N-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Koumine N-oxide has 0 hydrogen bond donor(s) and 3 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 Koumine N-oxide?
The CAS number of Koumine N-oxide is 113900-75-7.
What is the molecular formula of Koumine N-oxide?
The molecular formula of Koumine N-oxide is C20H22N2O2.
What is the molecular weight of Koumine N-oxide?
The molecular weight of Koumine N-oxide is 322.17 g/mol.
Where can I buy Koumine N-oxide?
You can request a quote for Koumine N-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Koumine N-oxide?
Yes, KEHONG BIO provides custom synthesis services for Koumine N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.