EINECS 261-765-6
TL;DR: EINECS 261-765-6 (CAS 59446-81-0) is a chemical compound with molecular formula C16H21N3NaO4S+ and molecular weight 374.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium (2S,5R,6R)-6-[[(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: EINECS 261-765-6, sodium (2S,5R,6R)-6-[[(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, Sodium (2S-(2alpha,5alpha,6beta(S*)))-6-((aminocyclohexa-1,4-dien-1-ylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate
| Molecular Formula | C16H21N3NaO4S+ |
|---|---|
| Molecular Weight | 374.12 g/mol |
| LogP | -2.7742 |
| Topological Polar Surface Area | 112.73 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.11505 |
| Heavy Atoms | 25 |
| Complexity | 663.76526 |
Chemical Identifiers
| CAS Number | 59446-81-0 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CCC=CC3)N)C(=O)O)C.[Na+] |
Product Overview
EINECS 261-765-6 (CAS 59446-81-0), with molecular formula C16H21N3NaO4S+ and molecular weight 374.12 g/mol. IUPAC: sodium (2S,5R,6R)-6-[[(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of EINECS 261-765-6
Property Insights of EINECS 261-765-6
The XLogP value of -2.7742 indicates that EINECS 261-765-6 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.73 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 261-765-6. Following Lipinski's Rule of Five, EINECS 261-765-6 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 261-765-6?
The CAS number of EINECS 261-765-6 is 59446-81-0.
What is the molecular formula of EINECS 261-765-6?
The molecular formula of EINECS 261-765-6 is C16H21N3NaO4S+.
What is the molecular weight of EINECS 261-765-6?
The molecular weight of EINECS 261-765-6 is 374.12 g/mol.
Where can I buy EINECS 261-765-6?
You can request a quote for EINECS 261-765-6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 261-765-6?
Yes, KEHONG BIO provides custom synthesis services for EINECS 261-765-6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.