OA 6129B(1)
TL;DR: OA 6129B(1) (CAS 82510-13-2) is a chemical compound with molecular formula C20H31N3O8S and molecular weight 473.18 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]-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Also Known As: Antibiotic OA 6129B(sub 1), Antibiotic OA 6129B(1), OA 6129B(1), OA-6129B(1), OA-6129B(2)
| Molecular Formula | C20H31N3O8S |
|---|---|
| Molecular Weight | 473.18 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 473.1832 |
| Heavy Atoms | 32 |
| Complexity | 800.0 |
Chemical Identifiers
| CAS Number | 82510-13-2 |
|---|---|
| SMILES | CC(C1C2CC(=C(N2C1=O)C(=O)O)SCCNC(=O)CCNC(=O)C(C(C)(C)CO)O)O |
| InChIKey | HNLNYXRYILRJHY-UHFFFAOYSA-N |
Product Overview
OA 6129B(1) (CAS 82510-13-2), with molecular formula C20H31N3O8S and molecular weight 473.18 g/mol. IUPAC: 3-[2-[3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoylamino]ethylsulfanyl]-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.
Chemical Property Profile of OA 6129B(1)
Property Insights of OA 6129B(1)
The XLogP value of -1.3 indicates that OA 6129B(1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 202.0 Ų indicates high polarity, suggesting OA 6129B(1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, OA 6129B(1) has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of OA 6129B(1)?
The CAS number of OA 6129B(1) is 82510-13-2.
What is the molecular formula of OA 6129B(1)?
The molecular formula of OA 6129B(1) is C20H31N3O8S.
What is the molecular weight of OA 6129B(1)?
The molecular weight of OA 6129B(1) is 473.18 g/mol.
Where can I buy OA 6129B(1)?
You can request a quote for OA 6129B(1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for OA 6129B(1)?
Yes, KEHONG BIO provides custom synthesis services for OA 6129B(1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.