epi-Deoxynegamycin
TL;DR: epi-Deoxynegamycin (CAS 58773-34-5) is a chemical compound with molecular formula C18H42N8O7 and molecular weight 482.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-[[[(3S)-3,6-diaminohexanoyl]amino]-methylamino]acetic acid);hydrate
Also Known As: epi-Deoxynegamycin, 3-epi-Deoxynegamycin hemihydrate, 5-deoxy-3-epi-negamycine, C9H20N4O3.1/2H2O, C9-H20-N4-O3.1/2H2-O
| Molecular Formula | C18H42N8O7 |
|---|---|
| Molecular Weight | 482.32 g/mol |
| LogP | -3.84 |
| Topological Polar Surface Area | 244.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 16 |
| Exact Mass | 482.31766 |
| Heavy Atoms | 33 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 58773-34-5 |
|---|---|
| SMILES | CN(CC(=O)O)NC(=O)C[C@H](CCCN)N.CN(CC(=O)O)NC(=O)C[C@H](CCCN)N.O |
| InChIKey | XYCGQMDBAVZONU-UBKPKTQASA-N |
Product Overview
epi-Deoxynegamycin (CAS 58773-34-5), with molecular formula C18H42N8O7 and molecular weight 482.32 g/mol. IUPAC: bis(2-[[[(3S)-3,6-diaminohexanoyl]amino]-methylamino]acetic acid);hydrate.
Chemical Property Profile of epi-Deoxynegamycin
Property Insights of epi-Deoxynegamycin
The XLogP value of -3.84 indicates that epi-Deoxynegamycin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 244.0 Ų indicates high polarity, suggesting epi-Deoxynegamycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, epi-Deoxynegamycin has 9 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of epi-Deoxynegamycin?
The CAS number of epi-Deoxynegamycin is 58773-34-5.
What is the molecular formula of epi-Deoxynegamycin?
The molecular formula of epi-Deoxynegamycin is C18H42N8O7.
What is the molecular weight of epi-Deoxynegamycin?
The molecular weight of epi-Deoxynegamycin is 482.32 g/mol.
Where can I buy epi-Deoxynegamycin?
You can request a quote for epi-Deoxynegamycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for epi-Deoxynegamycin?
Yes, KEHONG BIO provides custom synthesis services for epi-Deoxynegamycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.