EINECS 251-881-5
TL;DR: EINECS 251-881-5 (CAS 34205-43-1) is a chemical compound with molecular formula C29H38N4O7S and molecular weight 586.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R,6R)-6-[(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2-methoxyphenyl) 2-(diethylamino)acetate
Also Known As: EINECS 251-881-5, Diethyl(2-(2-methoxyphenoxy)-2-oxoethyl)ammonium (2S-(2alpha,5alpha,6beta(S*)))-6-((aminophenylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate, (2S,5R,6R)-6-[(2-amino-2-phenyl-acetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2-methoxyphenyl) 2-diethylaminoacetate, (2S,5R,6R)-6-[(2-Amino-1-hydroxy-2-phenylethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid--2-methoxyphenyl N,N-diethylglycinate (1/1), (2S,5R,6R)-6-[(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2-methoxyphenyl) 2-(diethylamino)acetate
| Molecular Formula | C29H38N4O7S |
|---|---|
| Molecular Weight | 586.25 g/mol |
| LogP | 2.2605 |
| Topological Polar Surface Area | 151.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 586.2461 |
| Heavy Atoms | 41 |
| Complexity | 1238.6807 |
Chemical Identifiers
| CAS Number | 34205-43-1 |
|---|---|
| SMILES | CCN(CC)CC(=O)OC1=CC=CC=C1OC.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C |
Product Overview
EINECS 251-881-5 (CAS 34205-43-1), with molecular formula C29H38N4O7S and molecular weight 586.25 g/mol. IUPAC: (2S,5R,6R)-6-[(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2-methoxyphenyl) 2-(diethylamino)acetate.
Chemical Property Profile of EINECS 251-881-5
Property Insights of EINECS 251-881-5
The XLogP value of 2.2605 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 251-881-5. The TPSA of 151.5 Ų indicates high polarity, suggesting EINECS 251-881-5 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 251-881-5 has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 251-881-5?
The CAS number of EINECS 251-881-5 is 34205-43-1.
What is the molecular formula of EINECS 251-881-5?
The molecular formula of EINECS 251-881-5 is C29H38N4O7S.
What is the molecular weight of EINECS 251-881-5?
The molecular weight of EINECS 251-881-5 is 586.25 g/mol.
Where can I buy EINECS 251-881-5?
You can request a quote for EINECS 251-881-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 251-881-5?
Yes, KEHONG BIO provides custom synthesis services for EINECS 251-881-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.