Monocrotaline, N-oxide
TL;DR: Monocrotaline, N-oxide (CAS 35337-98-5) is a chemical compound with molecular formula C16H23NO7 and molecular weight 341.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dihydroxy-4,5,6-trimethyl-13-oxido-2,8-dioxa-13-azoniatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
Also Known As: Monocrotaline N-oxide, Monocrotaline-N-oxide, Monocrotaline, N-oxide, dihydroxy-trimethyl-oxido-[?]dione, NCI60_000196
| Molecular Formula | C16H23NO7 |
|---|---|
| Molecular Weight | 341.15 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 341.14746 |
| Heavy Atoms | 24 |
| Complexity | 620.0 |
Chemical Identifiers
| CAS Number | 35337-98-5 |
|---|---|
| SMILES | CC1C(=O)OC2CC[N+]3(C2C(=CC3)COC(=O)C(C1(C)O)(C)O)[O-] |
| InChIKey | LHVAZUAALQTANZ-UHFFFAOYSA-N |
Product Overview
Monocrotaline, N-oxide (CAS 35337-98-5), with molecular formula C16H23NO7 and molecular weight 341.15 g/mol. IUPAC: 5,6-dihydroxy-4,5,6-trimethyl-13-oxido-2,8-dioxa-13-azoniatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione.
Chemical Property Profile of Monocrotaline, N-oxide
Property Insights of Monocrotaline, N-oxide
The XLogP value of -1.3 indicates that Monocrotaline, N-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Monocrotaline, N-oxide. Following Lipinski's Rule of Five, Monocrotaline, N-oxide has 2 hydrogen bond donor(s) and 7 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 Monocrotaline, N-oxide?
The CAS number of Monocrotaline, N-oxide is 35337-98-5.
What is the molecular formula of Monocrotaline, N-oxide?
The molecular formula of Monocrotaline, N-oxide is C16H23NO7.
What is the molecular weight of Monocrotaline, N-oxide?
The molecular weight of Monocrotaline, N-oxide is 341.15 g/mol.
Where can I buy Monocrotaline, N-oxide?
You can request a quote for Monocrotaline, N-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Monocrotaline, N-oxide?
Yes, KEHONG BIO provides custom synthesis services for Monocrotaline, N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.