Epitetracycline ammonium salt
TL;DR: Epitetracycline ammonium salt (CAS 16505-45-6) is a chemical compound with molecular formula C22H27N3O8 and molecular weight 461.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azanium (4R,4aS,5aS,6S,12aR)-2-carbamoyl-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracen-1-olate
Also Known As: Ammonium quatrimycin, Epitetracycline ammonium salt, 4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide monoammonium salt, (4R-(4alpha,4abeta,5abeta,6alpha,12abeta))-, 2-Naphthacenecarboxamide, 1,4,4a,5,5a,6,11,12a-octahydro-4-(dimethylamino)-1,11-dioxo-6-methyl-3,6,10,12,12a-pentahydroxy-, 4-epimer, ammonium salt, 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monoammonium salt, (4R-(4alpha,4abeta,5abeta,6alpha,12abeta))-
| Molecular Formula | C22H27N3O8 |
|---|---|
| Molecular Weight | 461.18 g/mol |
| LogP | -1.1925 |
| Topological Polar Surface Area | 185.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 461.1798 |
| Heavy Atoms | 33 |
| Complexity | 971.0 |
Chemical Identifiers
| CAS Number | 16505-45-6 |
|---|---|
| SMILES | C[C@@]1([C@H]2C[C@H]3[C@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)[O-])C(=O)N)N(C)C)O.[NH4+] |
| InChIKey | VSPSYUWNYBVIPQ-DXDJYCPMSA-N |
Product Overview
Epitetracycline ammonium salt (CAS 16505-45-6), with molecular formula C22H27N3O8 and molecular weight 461.18 g/mol. IUPAC: azanium (4R,4aS,5aS,6S,12aR)-2-carbamoyl-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracen-1-olate.
Chemical Property Profile of Epitetracycline ammonium salt
Property Insights of Epitetracycline ammonium salt
The XLogP value of -1.1925 indicates that Epitetracycline ammonium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 185.0 Ų indicates high polarity, suggesting Epitetracycline ammonium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Epitetracycline ammonium salt has 6 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 Epitetracycline ammonium salt?
The CAS number of Epitetracycline ammonium salt is 16505-45-6.
What is the molecular formula of Epitetracycline ammonium salt?
The molecular formula of Epitetracycline ammonium salt is C22H27N3O8.
What is the molecular weight of Epitetracycline ammonium salt?
The molecular weight of Epitetracycline ammonium salt is 461.18 g/mol.
Where can I buy Epitetracycline ammonium salt?
You can request a quote for Epitetracycline ammonium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Epitetracycline ammonium salt?
Yes, KEHONG BIO provides custom synthesis services for Epitetracycline ammonium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.