OA 6129C
TL;DR: OA 6129C (CAS 870-93-9) is a chemical compound with molecular formula C20H31N3O11S2 and molecular weight 553.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoylamino]ethylsulfanyl]-7-oxo-6-(1-sulfooxyethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Also Known As: Antibiotic OA 6129C, OA-6129C, OA 6129C, 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((2-((3-((2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino)-1-oxopropyl)amino)ethyl)thio)-7-oxo-6-(1-(sulfooxy)ethyl)-, 3-[(2-{[n-(2,4-dihydroxy-3,3-dimethylbutanoyl)-
| Molecular Formula | C20H31N3O11S2 |
|---|---|
| Molecular Weight | 553.14 g/mol |
| LogP | -2.2 |
| Topological Polar Surface Area | 254.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 14 |
| Exact Mass | 553.14 |
| Heavy Atoms | 36 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 870-93-9 |
|---|---|
| SMILES | CC(C1C2CC(=C(N2C1=O)C(=O)O)SCCNC(=O)CCNC(=O)C(C(C)(C)CO)O)OS(=O)(=O)O |
| InChIKey | GRWWKENHBQJAML-UHFFFAOYSA-N |
Product Overview
OA 6129C (CAS 870-93-9), with molecular formula C20H31N3O11S2 and molecular weight 553.14 g/mol. IUPAC: 3-[2-[3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoylamino]ethylsulfanyl]-7-oxo-6-(1-sulfooxyethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.
Chemical Property Profile of OA 6129C
Property Insights of OA 6129C
The XLogP value of -2.2 indicates that OA 6129C is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 254.0 Ų indicates high polarity, suggesting OA 6129C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, OA 6129C has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of OA 6129C?
The CAS number of OA 6129C is 870-93-9.
What is the molecular formula of OA 6129C?
The molecular formula of OA 6129C is C20H31N3O11S2.
What is the molecular weight of OA 6129C?
The molecular weight of OA 6129C is 553.14 g/mol.
Where can I buy OA 6129C?
You can request a quote for OA 6129C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for OA 6129C?
Yes, KEHONG BIO provides custom synthesis services for OA 6129C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.