Antibiotic KA 3093
TL;DR: Antibiotic KA 3093 (CAS 79925-51-2) is a chemical compound with molecular formula C23H31NO12 and molecular weight 513.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[4-(5-acetyl-3,4-dihydroxyoxolan-2-yl)oxy-3-hydroxyphenyl]-2-methyl-N-(2,3,5,6-tetrahydroxy-4-methoxycyclohexyl)prop-2-enamide
Also Known As: Antibiotic KA 3093, Antibiotic WS 1627A, myo-Inositol, 2-deoxy-2-((3-(4-((6-deoxy-beta-D-archimo-hexofuranos-5-ulos-1-yl)oxy)-3-hydroxyphenyl)-2-methyl-1-oxo-2-propenyl)amino)-5-O-methyl-, (E)-3-[4-(5-acetyl-3,4-dihydroxyoxolan-2-yl)oxy-3-hydroxyphenyl]-2-methyl-N-(2,3,5,6-tetrahydroxy-4-methoxycyclohexyl)prop-2-enamide, RefChem:1077070
| Molecular Formula | C23H31NO12 |
|---|---|
| Molecular Weight | 513.18 g/mol |
| LogP | -2.833 |
| Topological Polar Surface Area | 215.47 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 513.18463 |
| Heavy Atoms | 36 |
| Complexity | 983.3063 |
Chemical Identifiers
| CAS Number | 79925-51-2 |
|---|---|
| SMILES | C/C(=C\C1=CC(=C(C=C1)OC2C(C(C(O2)C(=O)C)O)O)O)/C(=O)NC3C(C(C(C(C3O)O)OC)O)O |
Product Overview
Antibiotic KA 3093 (CAS 79925-51-2), with molecular formula C23H31NO12 and molecular weight 513.18 g/mol. IUPAC: (E)-3-[4-(5-acetyl-3,4-dihydroxyoxolan-2-yl)oxy-3-hydroxyphenyl]-2-methyl-N-(2,3,5,6-tetrahydroxy-4-methoxycyclohexyl)prop-2-enamide.
Chemical Property Profile of Antibiotic KA 3093
Property Insights of Antibiotic KA 3093
The XLogP value of -2.833 indicates that Antibiotic KA 3093 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 215.47 Ų indicates high polarity, suggesting Antibiotic KA 3093 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Antibiotic KA 3093 has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Antibiotic KA 3093?
The CAS number of Antibiotic KA 3093 is 79925-51-2.
What is the molecular formula of Antibiotic KA 3093?
The molecular formula of Antibiotic KA 3093 is C23H31NO12.
What is the molecular weight of Antibiotic KA 3093?
The molecular weight of Antibiotic KA 3093 is 513.18 g/mol.
Where can I buy Antibiotic KA 3093?
You can request a quote for Antibiotic KA 3093 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Antibiotic KA 3093?
Yes, KEHONG BIO provides custom synthesis services for Antibiotic KA 3093 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.