Vulnibactin
TL;DR: Vulnibactin (CAS 156368-88-6) is a chemical compound with molecular formula C35H39N5O9 and molecular weight 673.2748 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[3-[3-[(2,3-dihydroxybenzoyl)amino]propyl-[(4S,5R)-2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]propyl]-2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide
Also Known As: Vulnibactin, N-[3-[3-[(2,3-Dihydroxybenzoyl)amino]propyl-[(4S,5R)-2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]propyl]-2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide, N-(3-(2,3-Dihydroxybenzamido)propyl)-1,3-bis(2-(2-hydroxyphenyl)-5-methyl-2-oxazoline-4-carboxamido)propane, (2Z)-N-[3-[3-[(2,3-dihydroxybenzoyl)amino]propyl-[(2Z,4S,5R)-5-methyl-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3-oxazolidine-4-carbonyl]amino]propyl]-5-methyl-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3-oxazolidine-4-carboxamide, 4-Oxazolecarboxamide, N-(3-(((4,5-dihydro-2-(2-hydroxyphenyl)-5-methyl-4-oxazolyl)carbonyl)amino)propyl)-N-(3-((2,3-dihydroxybenzoyl)amino)propyl)-4,5-dihydro-2-(2-hydroxyphenyl)-5-methyl-, (4S-(4alpha(4R*,5S*),5beta))-
Technical Specifications
| Molecular Formula | C35H39N5O9 |
| Molecular Weight | 673.2748 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 203.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 13 |
| Exact Mass | 673.2748 Da |
| Heavy Atoms | 49 |
| Complexity | 1220.0 |
| SMILES | C[C@@H]1[C@H](N=C(O1)C2=CC=CC=C2O)C(=O)N(CCCNC(=O)C3C(OC(=N3)C4=CC=CC=C4O)C)CCCNC(=O)C5=C(C(=CC=C5)O)O |
| InChIKey | CYQRDZPBFHTFJZ-UARBJZRRSA-N |
Chemical Property Profile of Vulnibactin
Property Insights of Vulnibactin
The XLogP value of 3.7 indicates that Vulnibactin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 203.0 Ų indicates high polarity, suggesting Vulnibactin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Vulnibactin has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Vulnibactin?
The CAS number of Vulnibactin is 156368-88-6.
What is the molecular formula of Vulnibactin?
The molecular formula of Vulnibactin is C35H39N5O9.
What is the molecular weight of Vulnibactin?
The molecular weight of Vulnibactin is 673.2748 g/mol.
Where can I buy Vulnibactin?
You can request a quote for Vulnibactin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Vulnibactin?
Yes, CoreyChem provides custom synthesis services for Vulnibactin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.