(4S)-乌勒因-Nb-氧化物
TL;DR: (4S)-乌勒因-Nb-氧化物 (CAS 86533-27-9) is a chemical compound with molecular formula C18H22N2O and molecular weight 282.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S)-乌勒因-Nb-氧化物
(1S,12S,15S)-16-ethyl-15-methyl-11-methylidene-15-oxido-9-aza-15-azoniatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene
Also Known As: (4S)-Uleine-Nb-oxide, Dasycarpidan, 1-methylene-, 7-oxide, (7beta)-, (1S,5S)-12-Ethyl-2-methyl-6-methylidene-2-oxo-2,3,4,5,6,7-hexahydro-1H-1,5-methano-2lambda~5~-azocino[4,3-b]indole, 12-Ethyl-2-methyl-6-methylidene-2-oxo-2,3,4,5,6,7-hexahydro-1H-1,5-methano-2lambda~5~-azocino[4,3-b]indole
| Molecular Formula | C18H22N2O |
|---|---|
| Molecular Weight | 282.17 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 33.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 282.17322 |
| Heavy Atoms | 21 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 86533-27-9 |
|---|---|
| SMILES | CCC1[C@@H]2CC[N@+]([C@@H]1C3=C(C2=C)NC4=CC=CC=C43)(C)[O-] |
| InChIKey | MCEMXDSSQGCWRL-SXWIERMDSA-N |
Product Overview
(4S)-乌勒因-Nb-氧化物 (CAS 86533-27-9), with molecular formula C18H22N2O and molecular weight 282.17 g/mol. IUPAC: (1S,12S,15S)-16-ethyl-15-methyl-11-methylidene-15-oxido-9-aza-15-azoniatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene.
Chemical Property Profile of (4S)-乌勒因-Nb-氧化物
Property Insights of (4S)-乌勒因-Nb-氧化物
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4S)-乌勒因-Nb-氧化物. With a topological polar surface area (TPSA) of 33.9 Ų, (4S)-乌勒因-Nb-氧化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4S)-乌勒因-Nb-氧化物 has 1 hydrogen bond donor(s) and 1 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 (4S)-乌勒因-Nb-氧化物?
The CAS number of (4S)-乌勒因-Nb-氧化物 is 86533-27-9.
What is the molecular formula of (4S)-乌勒因-Nb-氧化物?
The molecular formula of (4S)-乌勒因-Nb-氧化物 is C18H22N2O.
What is the molecular weight of (4S)-乌勒因-Nb-氧化物?
The molecular weight of (4S)-乌勒因-Nb-氧化物 is 282.17 g/mol.
Where can I buy (4S)-乌勒因-Nb-氧化物?
You can request a quote for (4S)-乌勒因-Nb-氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4S)-乌勒因-Nb-氧化物?
Yes, KEHONG BIO provides custom synthesis services for (4S)-乌勒因-Nb-氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.