Carbenicillin Disodium
TL;DR: Carbenicillin Disodium (CAS 4800-94-6) is a chemical compound with molecular formula C17H16N2Na2O6S and molecular weight 422.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;(2S,5R,6R)-6-[(2-carboxylato-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Also Known As: Carbenicillin disodium, Geopen, Carbenicillin disodium salt, carbenicillin sodium, Carbecin
| Molecular Formula | C17H16N2Na2O6S |
|---|---|
| Molecular Weight | 422.05 g/mol |
| LogP | -8.17 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 422.05246 |
| Heavy Atoms | 28 |
| Complexity | 634.0 |
Chemical Identifiers
| CAS Number | 4800-94-6 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)[O-])C(=O)[O-])C.[Na+].[Na+] |
| InChIKey | RTYJTGSCYUUYAL-YCAHSCEMSA-L |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbenicillin Disodium (CAS 4800-94-6), with molecular formula C17H16N2Na2O6S and molecular weight 422.05 g/mol. IUPAC: disodium;(2S,5R,6R)-6-[(2-carboxylato-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate.
Chemical Property Profile of Carbenicillin Disodium
Property Insights of Carbenicillin Disodium
The XLogP value of -8.17 indicates that Carbenicillin Disodium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 155.0 Ų indicates high polarity, suggesting Carbenicillin Disodium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Carbenicillin Disodium has 1 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 Carbenicillin Disodium?
The CAS number of Carbenicillin Disodium is 4800-94-6.
What is the molecular formula of Carbenicillin Disodium?
The molecular formula of Carbenicillin Disodium is C17H16N2Na2O6S.
What is the molecular weight of Carbenicillin Disodium?
The molecular weight of Carbenicillin Disodium is 422.05 g/mol.
Where can I buy Carbenicillin Disodium?
You can request a quote for Carbenicillin Disodium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbenicillin Disodium?
Yes, KEHONG BIO provides custom synthesis services for Carbenicillin Disodium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.