7-epi-cylindrospermopsin
TL;DR: 7-epi-cylindrospermopsin (CAS 265652-18-4) is a chemical compound with molecular formula C15H21N5O7S and molecular weight 415.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4S,5R,6S,8S,10R)-10-[(S)-(2,4-dioxo-1H-pyrimidin-6-yl)-hydroxymethyl]-5-methyl-2,11,12-triazatricyclo[6.3.1.04,12]dodec-1-en-6-yl] hydrogen sulfate
Also Known As: 7-epi-cylindrospermopsin, (-)-7-epi-Cylindrospermopsin, [(4S,5R,6S,8S,10R)-10-[(S)-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)(hydroxy)methyl]-5-methyl-2,11,12-triazatricyclo[6.3.1.04,12]dodec-1(11)-en-6-yl]oxidanesulfonic acid, 6-((S)-Hydroxy((2aS,3R,4S,5aS,7R)-2,2a,3,4,5,5a,6,7-octahydro-3-methyl-4-(sulfooxy)-1H-1,8,8b-triazaacenaphthylen-7-yl)methyl)-2,4(1H,3H)-pyrimidinedione, 6-[(S)-Hydroxy[[2,2abeta,3,4,5,5abeta,6,7-octahydro-3beta-methyl-4beta-(sulfooxy)-1H-1,8,8b-triazaacenaphthylen]-7alpha-yl]methyl]-2,4(1H,3H)-pyrimidinedione
| Molecular Formula | C15H21N5O7S |
|---|---|
| Molecular Weight | 415.12 g/mol |
| LogP | -2.6 |
| Topological Polar Surface Area | 178.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.11618 |
| Heavy Atoms | 28 |
| Complexity | 866.0 |
Chemical Identifiers
| CAS Number | 265652-18-4 |
|---|---|
| SMILES | C[C@H]1[C@H](C[C@@H]2C[C@@H](NC3=NC[C@H]1N23)[C@@H](C4=CC(=O)NC(=O)N4)O)OS(=O)(=O)O |
| InChIKey | LHJPHMKIGRLKDR-YUQKHPEDSA-N |
Product Overview
7-epi-cylindrospermopsin (CAS 265652-18-4), with molecular formula C15H21N5O7S and molecular weight 415.12 g/mol. IUPAC: [(4S,5R,6S,8S,10R)-10-[(S)-(2,4-dioxo-1H-pyrimidin-6-yl)-hydroxymethyl]-5-methyl-2,11,12-triazatricyclo[6.3.1.04,12]dodec-1-en-6-yl] hydrogen sulfate.
Chemical Property Profile of 7-epi-cylindrospermopsin
Property Insights of 7-epi-cylindrospermopsin
The XLogP value of -2.6 indicates that 7-epi-cylindrospermopsin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 178.0 Ų indicates high polarity, suggesting 7-epi-cylindrospermopsin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-epi-cylindrospermopsin has 5 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 7-epi-cylindrospermopsin?
The CAS number of 7-epi-cylindrospermopsin is 265652-18-4.
What is the molecular formula of 7-epi-cylindrospermopsin?
The molecular formula of 7-epi-cylindrospermopsin is C15H21N5O7S.
What is the molecular weight of 7-epi-cylindrospermopsin?
The molecular weight of 7-epi-cylindrospermopsin is 415.12 g/mol.
Where can I buy 7-epi-cylindrospermopsin?
You can request a quote for 7-epi-cylindrospermopsin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-epi-cylindrospermopsin?
Yes, KEHONG BIO provides custom synthesis services for 7-epi-cylindrospermopsin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.