Acinetobactin
TL;DR: Acinetobactin (CAS 160472-93-5) is a chemical compound with molecular formula C16H18N4O5 and molecular weight 346.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,5R)-2-(2,3-dihydroxyphenyl)-N-hydroxy-N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide
Also Known As: Acinetobactin, (4R,5R)-2-(2,3-Dihydroxyphenyl)-N-hydroxy-N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide, (2Z,4R,5R)-N-hydroxy-2-(5-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)-N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-1,3-oxazolidine-4-carboxamide, 4-Oxazolecarboxamide, 2-(2,3-dihydroxyphenyl)-4,5-dihydro-N-hydroxy-N-(2-(1H-imidazol-4-yl)ethyl)-5-methyl-, cis-(-)-
| Molecular Formula | C16H18N4O5 |
|---|---|
| Molecular Weight | 346.13 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.12772 |
| Heavy Atoms | 25 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 160472-93-5 |
|---|---|
| SMILES | C[C@@H]1[C@@H](N=C(O1)C2=C(C(=CC=C2)O)O)C(=O)N(CCC3=CN=CN3)O |
| InChIKey | FCWIGDCVHNNXFS-NOZJJQNGSA-N |
Product Overview
Acinetobactin (CAS 160472-93-5), with molecular formula C16H18N4O5 and molecular weight 346.13 g/mol. IUPAC: (4R,5R)-2-(2,3-dihydroxyphenyl)-N-hydroxy-N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide.
Chemical Property Profile of Acinetobactin
Property Insights of Acinetobactin
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acinetobactin. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acinetobactin. Following Lipinski's Rule of Five, Acinetobactin has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acinetobactin?
The CAS number of Acinetobactin is 160472-93-5.
What is the molecular formula of Acinetobactin?
The molecular formula of Acinetobactin is C16H18N4O5.
What is the molecular weight of Acinetobactin?
The molecular weight of Acinetobactin is 346.13 g/mol.
Where can I buy Acinetobactin?
You can request a quote for Acinetobactin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acinetobactin?
Yes, KEHONG BIO provides custom synthesis services for Acinetobactin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.