E 1101
TL;DR: E 1101 (CAS 142494-87-9) is a chemical compound with molecular formula C22H29ClN6O10S2 and molecular weight 636.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-propan-2-yloxycarbonyloxyethyl (6R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-(dimethylcarbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrochloride
Also Known As: E 1101, E-1101, 1-(Isopropoxycarbonyloxy)ethyl 7-(2-(2-aminothiazol-4-yl)-2-hydroxyiminoacetamido)-3-N,N-dimethylcarbamoyloxymethyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate monohydrochloride, 1-propan-2-yloxycarbonyloxyethyl (6R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-(dimethylcarbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrochloride, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(hydroxyimino)acetyl)amino)-3-((((dimethylamino)carbonyl)oxy)methyl)-8-oxo-, 1-(((1-methylethoxy)carbonyl)oxy)ethyl ester, monohydrochloride, (6R-(6alpha,7beta(Z)))-
| Molecular Formula | C22H29ClN6O10S2 |
|---|---|
| Molecular Weight | 636.11 g/mol |
| LogP | 1.1284 |
| Topological Polar Surface Area | 212.28 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 9 |
| Exact Mass | 636.1075 |
| Heavy Atoms | 41 |
| Complexity | 1253.0671 |
Chemical Identifiers
| CAS Number | 142494-87-9 |
|---|---|
| SMILES | CC(C)OC(=O)OC(C)OC(=O)C1=C(CS[C@H]2N1C(=O)C2NC(=O)/C(=N/O)/C3=CSC(=N3)N)COC(=O)N(C)C.Cl |
Product Overview
E 1101 (CAS 142494-87-9), with molecular formula C22H29ClN6O10S2 and molecular weight 636.11 g/mol. IUPAC: 1-propan-2-yloxycarbonyloxyethyl (6R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-(dimethylcarbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrochloride.
Chemical Property Profile of E 1101
Property Insights of E 1101
The XLogP value of 1.1284 suggests moderate lipophilicity, balancing water solubility and membrane permeability for E 1101. The TPSA of 212.28 Ų indicates high polarity, suggesting E 1101 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, E 1101 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 E 1101?
The CAS number of E 1101 is 142494-87-9.
What is the molecular formula of E 1101?
The molecular formula of E 1101 is C22H29ClN6O10S2.
What is the molecular weight of E 1101?
The molecular weight of E 1101 is 636.11 g/mol.
Where can I buy E 1101?
You can request a quote for E 1101 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for E 1101?
Yes, KEHONG BIO provides custom synthesis services for E 1101 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.