6-Sulfoaminopenicillanic acid
TL;DR: 6-Sulfoaminopenicillanic acid (CAS 89277-85-0) is a chemical compound with molecular formula C8H12N2O6S2 and molecular weight 296.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-(sulfoamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: 6-Sulfoaminopenicillanic acid, 6-sulfoaminopenicillanicacid, KST-1A8739, 6alpha-(Sulfoamino)penicillanic acid, FR 900318
| Molecular Formula | C8H12N2O6S2 |
|---|---|
| Molecular Weight | 296.01 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.01367 |
| Heavy Atoms | 18 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 89277-85-0 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NS(=O)(=O)O)C(=O)O)C |
| InChIKey | MLMMPOPYWFDUAP-ALEPSDHESA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Sulfoaminopenicillanic acid (CAS 89277-85-0), with molecular formula C8H12N2O6S2 and molecular weight 296.01 g/mol. IUPAC: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(sulfoamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of 6-Sulfoaminopenicillanic acid
Property Insights of 6-Sulfoaminopenicillanic acid
The XLogP value of -0.2 indicates that 6-Sulfoaminopenicillanic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 158.0 Ų indicates high polarity, suggesting 6-Sulfoaminopenicillanic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-Sulfoaminopenicillanic acid 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 6-Sulfoaminopenicillanic acid?
The CAS number of 6-Sulfoaminopenicillanic acid is 89277-85-0.
What is the molecular formula of 6-Sulfoaminopenicillanic acid?
The molecular formula of 6-Sulfoaminopenicillanic acid is C8H12N2O6S2.
What is the molecular weight of 6-Sulfoaminopenicillanic acid?
The molecular weight of 6-Sulfoaminopenicillanic acid is 296.01 g/mol.
Where can I buy 6-Sulfoaminopenicillanic acid?
You can request a quote for 6-Sulfoaminopenicillanic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Sulfoaminopenicillanic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-Sulfoaminopenicillanic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.