EINECS 264-918-5
TL;DR: EINECS 264-918-5 (CAS 64486-60-8) is a chemical compound with molecular formula C18H18ClN5O8S2 and molecular weight 531.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-3-(acetyloxymethyl)-7-[[(2E)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: EINECS 264-918-5, (6R-(6alpha,7beta(Z)))-3-(Acetoxymethyl)-7-((2-(chloroacetamido)thiazol-4-yl)(methoxyimino)acetamido)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, (6R,7R)-3-(acetyloxymethyl)-7-[[(2E)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, [6R-[6alpha,7beta ]]-3- -7-[[2- thiazol-4-yl] acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, [6R-[6alpha,7beta(Z)]]-3-(acetoxymethyl)-7-[[2-(chloroacetamido)thiazol-4-yl](methoxyimino)acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C18H18ClN5O8S2 |
|---|---|
| Molecular Weight | 531.03 g/mol |
| LogP | -0.0274 |
| Topological Polar Surface Area | 176.59 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 531.0285 |
| Heavy Atoms | 34 |
| Complexity | 1103.8469 |
Chemical Identifiers
| CAS Number | 64486-60-8 |
|---|---|
| SMILES | CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N/OC)/C3=CSC(=N3)NC(=O)CCl)SC1)C(=O)O |
Product Overview
EINECS 264-918-5 (CAS 64486-60-8), with molecular formula C18H18ClN5O8S2 and molecular weight 531.03 g/mol. IUPAC: (6R,7R)-3-(acetyloxymethyl)-7-[[(2E)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of EINECS 264-918-5
Property Insights of EINECS 264-918-5
The XLogP value of -0.0274 indicates that EINECS 264-918-5 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 176.59 Ų indicates high polarity, suggesting EINECS 264-918-5 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 264-918-5 has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 264-918-5?
The CAS number of EINECS 264-918-5 is 64486-60-8.
What is the molecular formula of EINECS 264-918-5?
The molecular formula of EINECS 264-918-5 is C18H18ClN5O8S2.
What is the molecular weight of EINECS 264-918-5?
The molecular weight of EINECS 264-918-5 is 531.03 g/mol.
Where can I buy EINECS 264-918-5?
You can request a quote for EINECS 264-918-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 264-918-5?
Yes, KEHONG BIO provides custom synthesis services for EINECS 264-918-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.