3-O-Demethylsporaricin A
TL;DR: 3-O-Demethylsporaricin A (CAS 102735-33-1) is a chemical compound with molecular formula C16H37Cl4N5O5 and molecular weight 519.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-N-[4-amino-3-[3-amino-6-(1-aminoethyl)oxan-2-yl]oxy-2,6-dihydroxycyclohexyl]-N-methylacetamide;tetrahydrochloride
Also Known As: 3-O-Demethylsporaricin A, 2-amino-N-[4-amino-3-[3-amino-6-(1-aminoethyl)oxan-2-yl]oxy-2,6-dihydroxycyclohexyl]-N-methylacetamide;tetrahydrochloride, 2-amino-N-[4-amino-3-[3-amino-6-(1-aminoethyl)oxan-2-yl]oxy-2,6-dihydroxycyclohexyl]-N-methylacetamide tetrahydrochloride, 2-amino-N-[4-amino-3-[3-amino-6-(1-aminoethyl)oxan-2-yl]oxy-2,6-dihydroxycyclohexyl]-N-methylacetamide,tetrahydrochloride, 6-amino-3-[glycyl(methyl)amino]-2,4-dihydroxycyclohexyl 2,6-diamino-2,3,4,6,7-pentadeoxyheptopyranoside tetrahydrochloride
| Molecular Formula | C16H37Cl4N5O5 |
|---|---|
| Molecular Weight | 519.15 g/mol |
| LogP | -1.5231 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 519.1549 |
| Heavy Atoms | 30 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 102735-33-1 |
|---|---|
| SMILES | CC(C1CCC(C(O1)OC2C(CC(C(C2O)N(C)C(=O)CN)O)N)N)N.Cl.Cl.Cl.Cl |
| InChIKey | NVAKQJGMLIOTPD-UHFFFAOYSA-N |
Product Overview
3-O-Demethylsporaricin A (CAS 102735-33-1), with molecular formula C16H37Cl4N5O5 and molecular weight 519.15 g/mol. IUPAC: 2-amino-N-[4-amino-3-[3-amino-6-(1-aminoethyl)oxan-2-yl]oxy-2,6-dihydroxycyclohexyl]-N-methylacetamide;tetrahydrochloride.
Chemical Property Profile of 3-O-Demethylsporaricin A
Property Insights of 3-O-Demethylsporaricin A
The XLogP value of -1.5231 indicates that 3-O-Demethylsporaricin A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 183.0 Ų indicates high polarity, suggesting 3-O-Demethylsporaricin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-O-Demethylsporaricin A has 10 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-O-Demethylsporaricin A?
The CAS number of 3-O-Demethylsporaricin A is 102735-33-1.
What is the molecular formula of 3-O-Demethylsporaricin A?
The molecular formula of 3-O-Demethylsporaricin A is C16H37Cl4N5O5.
What is the molecular weight of 3-O-Demethylsporaricin A?
The molecular weight of 3-O-Demethylsporaricin A is 519.15 g/mol.
Where can I buy 3-O-Demethylsporaricin A?
You can request a quote for 3-O-Demethylsporaricin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-O-Demethylsporaricin A?
Yes, KEHONG BIO provides custom synthesis services for 3-O-Demethylsporaricin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.