Aoaocc
TL;DR: Aoaocc (CAS 124650-78-8) is a chemical compound with molecular formula C37H52ClN9O13 and molecular weight 865.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R)-7-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]-[(1S)-2-[bis[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-2-oxo-1-phenylethyl]amino]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Aoaocc, 7-((N(5)-Acetyl-N(5)-hydroxyornithyl-N(5)-acetyl-N(5)-hydroxyornithyl-N(5)-acetyl-N(5)-hydroxyornithyl-phenylglycyl)amino)-1-carba-3-chloro-3-cephem-4-carboxylic acid, (6R)-7-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]-[(1S)-2-[bis[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-2-oxo-1-phenylethyl]amino]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R-trans)-N5-Acetyl-N5-hydroxy-L-ornithyl-N5-acetyl-N5-hydroxy-L-ornithyl-N5-acetyl-N5-hydroxy-L-ornithyl-N-(2-carboxy-3-chloro-8-oxo-1-azabicyclo(4.2.0)oct-2-en-7-yl)-D-2-phenylglycinamide, 7-((N(5)-acetyl-N(5)-hydroxyornithyl-N(5)-acetyl-N(5)-hydroxyornithyl-N(5)-acetyl-N(5)-hydroxyornith
| Molecular Formula | C37H52ClN9O13 |
|---|---|
| Molecular Weight | 865.34 g/mol |
| LogP | -0.6181 |
| Topological Polar Surface Area | 332.05 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 20 |
| Exact Mass | 865.3373 |
| Heavy Atoms | 60 |
| Complexity | 1806.933 |
Chemical Identifiers
| CAS Number | 124650-78-8 |
|---|---|
| SMILES | CC(=O)N(CCC[C@@H](C(=O)N(C1[C@H]2CCC(=C(N2C1=O)C(=O)O)Cl)[C@@H](C3=CC=CC=C3)C(=O)N(C(=O)[C@H](CCCN(C(=O)C)O)N)C(=O)[C@H](CCCN(C(=O)C)O)N)N)O |
Product Overview
Aoaocc (CAS 124650-78-8), with molecular formula C37H52ClN9O13 and molecular weight 865.34 g/mol. IUPAC: (6R)-7-[[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]-[(1S)-2-[bis[(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoyl]amino]-2-oxo-1-phenylethyl]amino]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of Aoaocc
Property Insights of Aoaocc
The XLogP value of -0.6181 indicates that Aoaocc is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 332.05 Ų indicates high polarity, suggesting Aoaocc may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aoaocc has 7 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Aoaocc?
The CAS number of Aoaocc is 124650-78-8.
What is the molecular formula of Aoaocc?
The molecular formula of Aoaocc is C37H52ClN9O13.
What is the molecular weight of Aoaocc?
The molecular weight of Aoaocc is 865.34 g/mol.
Where can I buy Aoaocc?
You can request a quote for Aoaocc directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aoaocc?
Yes, KEHONG BIO provides custom synthesis services for Aoaocc and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.