2-Aacc
TL;DR: 2-Aacc (CAS 103313-22-0) is a chemical compound with molecular formula C21H19N7O5S2 and molecular weight 513.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(imidazo[1,5-a]pyridin-2-ium-2-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Also Known As: 2-Aacc, 7-(2-(2-Aminothiazole-4-yl)-2-methoxyiminoacetamido)-3-(imidazo(1,5-a)pyridinium-2-yl)methyl-3-cephem-4-carboxylate, (6R,7R)-7-[[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(imidazo[1,5-a]pyridin-2-ium-2-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(imidazo[1,5-a]pyridin-4-ium-2-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, 7beta-[2-(2-aminothiazol-4-yl)-2-(Z)-methoxyiminoacetamido]-3-(imidazo [1,5-a]pyridinium-2-yl)methyl-3-cephem-4-carboxylate
| Molecular Formula | C21H19N7O5S2 |
|---|---|
| Molecular Weight | 513.09 g/mol |
| LogP | -1.2799 |
| Topological Polar Surface Area | 158.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 513.0889 |
| Heavy Atoms | 35 |
| Complexity | 1378.7001 |
Chemical Identifiers
| CAS Number | 103313-22-0 |
|---|---|
| SMILES | CO/N=C(\C1=CSC(=N1)N)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CN5C=CC=CC5=C4)C(=O)[O-] |
Product Overview
2-Aacc (CAS 103313-22-0), with molecular formula C21H19N7O5S2 and molecular weight 513.09 g/mol. IUPAC: (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(imidazo[1,5-a]pyridin-2-ium-2-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.
Chemical Property Profile of 2-Aacc
Property Insights of 2-Aacc
The XLogP value of -1.2799 indicates that 2-Aacc is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 158.33 Ų indicates high polarity, suggesting 2-Aacc may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Aacc has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Aacc?
The CAS number of 2-Aacc is 103313-22-0.
What is the molecular formula of 2-Aacc?
The molecular formula of 2-Aacc is C21H19N7O5S2.
What is the molecular weight of 2-Aacc?
The molecular weight of 2-Aacc is 513.09 g/mol.
Where can I buy 2-Aacc?
You can request a quote for 2-Aacc directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Aacc?
Yes, KEHONG BIO provides custom synthesis services for 2-Aacc and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.