Einecs 260-339-7
TL;DR: Einecs 260-339-7 (CAS 56686-90-9) is a chemical compound with molecular formula C27H36N4O13S2 and molecular weight 688.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methoxymethyl (6R,7S)-3-(carbamoyloxymethyl)-7-methoxy-7-[[6-(methoxymethoxy)-5-[(4-methylphenyl)sulfonylamino]-6-oxohexanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Also Known As: 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(((aminocarbonyl)oxy)methyl)-7-methoxy-7-((6-(methoxymethoxy)-5-(((4-methylphenyl)sulfonyl)amino)-1,6-dioxohexyl)amino)-8-oxo-, methoxymethylester, (6R-(6alpha,7alpha,7(R*)))-, methoxymethyl (6R,7S)-3-(carbamoyloxymethyl)-7-methoxy-7-[[6-(methoxymethoxy)-5-[(4-methylphenyl)sulfonylamino]-6-oxohexanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, METHOXYMETHYL(6R,7S)-3-(CARBAMOYLOXYMETHYL)-7-METHOXY-7-[[6-(METHOXYMETHOXY)-5-[(4-METHYLPHENYL)SULFONYLAMINO]-6-OXOHEXANOYL]AMINO]-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLATE, (6R,7S)-3-{[Hydroxy(imino)methoxy]methyl}-7-{[1-hydroxy-6-(methoxymethoxy)-5-(4-methylbenzene-1-sulfonamido)-6-oxohexylidene]amino}-7-methoxy-2-[(methoxymethoxy)carbonyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene, [6R-(6
| Molecular Formula | C27H36N4O13S2 |
|---|---|
| Molecular Weight | 688.17 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 262.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 20 |
| Exact Mass | 688.17206 |
| Heavy Atoms | 46 |
| Complexity | 1280.0 |
Chemical Identifiers
| CAS Number | 56686-90-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC(CCCC(=O)N[C@]2([C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)OCOC)OC)C(=O)OCOC |
| InChIKey | YBVOYFJRYXRGHG-ZGOHAYIYSA-N |
Product Overview
Einecs 260-339-7 (CAS 56686-90-9), with molecular formula C27H36N4O13S2 and molecular weight 688.17 g/mol. IUPAC: methoxymethyl (6R,7S)-3-(carbamoyloxymethyl)-7-methoxy-7-[[6-(methoxymethoxy)-5-[(4-methylphenyl)sulfonylamino]-6-oxohexanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.
Chemical Property Profile of Einecs 260-339-7
Property Insights of Einecs 260-339-7
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Einecs 260-339-7. The TPSA of 262.0 Ų indicates high polarity, suggesting Einecs 260-339-7 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 260-339-7 has 3 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Einecs 260-339-7?
The CAS number of Einecs 260-339-7 is 56686-90-9.
What is the molecular formula of Einecs 260-339-7?
The molecular formula of Einecs 260-339-7 is C27H36N4O13S2.
What is the molecular weight of Einecs 260-339-7?
The molecular weight of Einecs 260-339-7 is 688.17 g/mol.
Where can I buy Einecs 260-339-7?
You can request a quote for Einecs 260-339-7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 260-339-7?
Yes, KEHONG BIO provides custom synthesis services for Einecs 260-339-7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.