ticarcillin sodium
TL;DR: ticarcillin sodium (CAS 3973-04-4) is a chemical compound with molecular formula C15H16N2O6S2 and molecular weight 384.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R,6R)-6-[(2-carboxy-2-thiophen-3-ylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: ticarcillin sodium, TICARCILLIN, BPBio1_001160, KST-1A4182, alpha-Carboxy-alpha-3-thienylmethylpenicillin
| Molecular Formula | C15H16N2O6S2 |
|---|---|
| Molecular Weight | 384.04 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 178.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.04498 |
| Heavy Atoms | 25 |
| Complexity | 640.0 |
Chemical Identifiers
| CAS Number | 3973-04-4 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CSC=C3)C(=O)O)C(=O)O)C |
| InChIKey | OHKOGUYZJXTSFX-IRHHVTTKSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ticarcillin sodium (CAS 3973-04-4), with molecular formula C15H16N2O6S2 and molecular weight 384.04 g/mol. IUPAC: (2S,5R,6R)-6-[(2-carboxy-2-thiophen-3-ylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of ticarcillin sodium
Property Insights of ticarcillin sodium
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ticarcillin sodium. The TPSA of 178.0 Ų indicates high polarity, suggesting ticarcillin sodium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ticarcillin sodium has 3 hydrogen bond donor(s) and 8 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 ticarcillin sodium?
The CAS number of ticarcillin sodium is 3973-04-4.
What is the molecular formula of ticarcillin sodium?
The molecular formula of ticarcillin sodium is C15H16N2O6S2.
What is the molecular weight of ticarcillin sodium?
The molecular weight of ticarcillin sodium is 384.04 g/mol.
Where can I buy ticarcillin sodium?
You can request a quote for ticarcillin sodium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ticarcillin sodium?
Yes, KEHONG BIO provides custom synthesis services for ticarcillin sodium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.