Etisomicin
TL;DR: Etisomicin (CAS 70639-48-4) is a chemical compound with molecular formula C20H39N5O7 and molecular weight 461.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5S)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-4-(ethylamino)-5-methyloxane-3,5-diol
Also Known As: Etisomicin, Etisomicin [INN:BAN], ETISOMICIN [INN], BAY V1 4718, Bay-Vi-4718
| Molecular Formula | C20H39N5O7 |
|---|---|
| Molecular Weight | 461.28 g/mol |
| LogP | -4.7 |
| Topological Polar Surface Area | 214.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 461.28494 |
| Heavy Atoms | 32 |
| Complexity | 658.0 |
Chemical Identifiers
| CAS Number | 70639-48-4 |
|---|---|
| SMILES | CCN[C@H]1[C@@H]([C@@H](OC[C@@]1(C)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CN)N)N)N)O |
| InChIKey | KOBHYGXJFZRQFP-XWXOKSHGSA-N |
Product Overview
Etisomicin (CAS 70639-48-4), with molecular formula C20H39N5O7 and molecular weight 461.28 g/mol. IUPAC: (2S,3S,4S,5S)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-4-(ethylamino)-5-methyloxane-3,5-diol.
Chemical Property Profile of Etisomicin
Property Insights of Etisomicin
The XLogP value of -4.7 indicates that Etisomicin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 214.0 Ų indicates high polarity, suggesting Etisomicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Etisomicin 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 Etisomicin?
The CAS number of Etisomicin is 70639-48-4.
What is the molecular formula of Etisomicin?
The molecular formula of Etisomicin is C20H39N5O7.
What is the molecular weight of Etisomicin?
The molecular weight of Etisomicin is 461.28 g/mol.
Where can I buy Etisomicin?
You can request a quote for Etisomicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Etisomicin?
Yes, KEHONG BIO provides custom synthesis services for Etisomicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.