monocrotaline
TL;DR: monocrotaline (CAS 315-22-0) is a chemical compound with molecular formula C16H23NO6 and molecular weight 325.15253 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5,6-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
Also Known As: monocrotaline, Crotaline, Monocrotalin, (-)-Monocrotaline, NCI-C56462
Technical Specifications
| Molecular Formula | C16H23NO6 |
| Molecular Weight | 325.15253 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 325.15253 Da |
| Heavy Atoms | 23 |
| Complexity | 575.0 |
| Melting Point | 202 - 203 °C |
| SMILES | CC1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C1(C)O)(C)O |
| InChIKey | QVCMHGGNRFRMAD-UHFFFAOYSA-N |
Product Description
Applications: monocrotaline is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies monocrotaline (CAS 315-22-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
monocrotaline is a fine chemical identified by CAS number 315-22-0 and the molecular formula C16H23NO6 and a molecular weight of 325.15 g/mol. It is also known as monocrotaline and Crotaline.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of monocrotaline
Property Insights of monocrotaline
The XLogP value of -0.7 indicates that monocrotaline is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for monocrotaline. Following Lipinski's Rule of Five, monocrotaline 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
What is the CAS number of monocrotaline?
The CAS number of monocrotaline is 315-22-0.
What is the molecular formula of monocrotaline?
The molecular formula of monocrotaline is C16H23NO6.
What is the molecular weight of monocrotaline?
The molecular weight of monocrotaline is 325.15253 g/mol.
What are the applications of monocrotaline?
monocrotaline is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies monocrotaline (CAS 315-22-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and...
Where can I buy monocrotaline?
You can request a quote for monocrotaline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for monocrotaline?
Yes, CoreyChem provides custom synthesis services for monocrotaline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.