Temocillin
TL;DR: Temocillin (CAS 61545-06-0) is a chemical compound with molecular formula C16H18N2Na2O7S2 and molecular weight 460.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Also Known As: Temocillin, Temocillin disodium salt, (2S,5R)-6-[(3-hydroxy-3-oxo-2-thiophen-3-ylpropanoyl)amino]-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; sodium
| Molecular Formula | C16H18N2Na2O7S2 |
|---|---|
| Molecular Weight | 460.04 g/mol |
| LogP | -0.2395 |
| Topological Polar Surface Area | 133.24 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.0351 |
| Heavy Atoms | 29 |
| Complexity | 820.2001 |
Chemical Identifiers
| CAS Number | 61545-06-0 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1)C(C2=O)(NC(=O)C(C3=CSC=C3)C(=O)O)OC)C(=O)O)C.[Na].[Na] |
Product Overview
Temocillin (CAS 61545-06-0), with molecular formula C16H18N2Na2O7S2 and molecular weight 460.04 g/mol.
Chemical Property Profile of Temocillin
Property Insights of Temocillin
The XLogP value of -0.2395 indicates that Temocillin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 133.24 Ų falls within the moderate polarity range, balancing permeability and solubility for Temocillin. Following Lipinski's Rule of Five, Temocillin has 3 hydrogen bond donor(s) and 7 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 Temocillin?
The CAS number of Temocillin is 61545-06-0.
What is the molecular formula of Temocillin?
The molecular formula of Temocillin is C16H18N2Na2O7S2.
What is the molecular weight of Temocillin?
The molecular weight of Temocillin is 460.04 g/mol.
Where can I buy Temocillin?
You can request a quote for Temocillin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Temocillin?
Yes, KEHONG BIO provides custom synthesis services for Temocillin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.