Monocrotaline, alpha-epoxide
TL;DR: Monocrotaline, alpha-epoxide (CAS 3210-15-9) 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-5,6,7-trimethyl-3,9,16-trioxa-13-azatetracyclo[8.6.1.01,15.013,17]heptadecane-4,8-dione
Also Known As: Monocrotaline, alpha-epoxide, Monocrotaline, .alpha.-epoxide, (1alpha,2alpha,13alpha,14alpha)-1,2-Epoxy-1,2,14,19-tetrahydro-12,13-dihydroxy-20-norcrotalanan-11,15-dione, 1,2-Epoxy-1,2,14,19-tetrahydro-12,13-dihydroxy-20-norcrotalanan-11,15-dione (1alpha,2alpha,13alpha,14alpha)-, 20-Norcrotalanan-11,15-dione, 1,2-epoxy-1,2,14,19-tetrahydro-12,13-dihydroxy-, (1alpha,2alpha,13alpha,14alpha)-
| Molecular Formula | C16H23NO7 |
|---|---|
| Molecular Weight | 341.15 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 341.14746 |
| Heavy Atoms | 24 |
| Complexity | 611.0 |
Chemical Identifiers
| CAS Number | 3210-15-9 |
|---|---|
| SMILES | CC1C(=O)OC2CCN3C2C4(COC(=O)C(C1(C)O)(C)O)C(C3)O4 |
| InChIKey | HYJVJRUXRDRLNM-UHFFFAOYSA-N |
Product Overview
Monocrotaline, alpha-epoxide (CAS 3210-15-9), with molecular formula C16H23NO7 and molecular weight 341.15 g/mol. IUPAC: 5,6-dihydroxy-5,6,7-trimethyl-3,9,16-trioxa-13-azatetracyclo[8.6.1.01,15.013,17]heptadecane-4,8-dione.
Chemical Property Profile of Monocrotaline, alpha-epoxide
Property Insights of Monocrotaline, alpha-epoxide
The XLogP value of -0.9 indicates that Monocrotaline, alpha-epoxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Monocrotaline, alpha-epoxide. Following Lipinski's Rule of Five, Monocrotaline, alpha-epoxide has 2 hydrogen bond donor(s) and 8 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, alpha-epoxide?
The CAS number of Monocrotaline, alpha-epoxide is 3210-15-9.
What is the molecular formula of Monocrotaline, alpha-epoxide?
The molecular formula of Monocrotaline, alpha-epoxide is C16H23NO7.
What is the molecular weight of Monocrotaline, alpha-epoxide?
The molecular weight of Monocrotaline, alpha-epoxide is 341.15 g/mol.
Where can I buy Monocrotaline, alpha-epoxide?
You can request a quote for Monocrotaline, alpha-epoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Monocrotaline, alpha-epoxide?
Yes, KEHONG BIO provides custom synthesis services for Monocrotaline, alpha-epoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.