AO 1100
TL;DR: AO 1100 (CAS 112421-25-7) is a chemical compound with molecular formula C27H30N4O9S and molecular weight 586.17334 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,5R,6R)-6-[[2-[[(3,4-dihydroxybenzoyl)-(3-hydroxypropyl)carbamoyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: AO 1100, (2S,5R,6R)-6-[[2-[[(3,4-dihydroxybenzoyl)-(3-hydroxypropyl)carbamoyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-((((((3,4-Dihydroxybenzoyl)(3-hydroxypropyl)amino)carbonyl)amino)phenylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid (2S-(2alpha,5alpha,6beta(S*)))-, 6-(2-(3-(3,4-Dihydroxybenzoyl)-3-(3-hydroxypropyl)-1-ureido)-2-phenylacetamido)penicillanic acid, (2S,5R,6R)-6-(2-{[(3,4-dihydroxybenzoyl)(3-hydroxypropyl)carbamoyl]amino}-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C27H30N4O9S |
| Molecular Weight | 586.17334 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 222.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 586.17334 Da |
| Heavy Atoms | 41 |
| Complexity | 1040.0 |
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)N(CCCO)C(=O)C4=CC(=C(C=C4)O)O)C(=O)O)C |
| InChIKey | CKWLJDSVKGAMKR-JLVXQPSGSA-N |
Chemical Property Profile of AO 1100
Property Insights of AO 1100
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO 1100. The TPSA of 222.0 Ų indicates high polarity, suggesting AO 1100 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AO 1100 has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of AO 1100?
The CAS number of AO 1100 is 112421-25-7.
What is the molecular formula of AO 1100?
The molecular formula of AO 1100 is C27H30N4O9S.
What is the molecular weight of AO 1100?
The molecular weight of AO 1100 is 586.17334 g/mol.
Where can I buy AO 1100?
You can request a quote for AO 1100 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AO 1100?
Yes, CoreyChem provides custom synthesis services for AO 1100 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.