Vibriobactin
TL;DR: Vibriobactin (CAS 88217-23-6) is a chemical compound with molecular formula C35H39N5O11 and molecular weight 705.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[3-[(2,3-dihydroxybenzoyl)amino]propyl-[(4S,5R)-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]propyl]-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide
Also Known As: Vibriobactin, Ferric vibriobactin, N-[3-[3-[(2,3-dihydroxybenzoyl)amino]propyl-[(4S,5R)-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]propyl]-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide, (4R,5S)-N-[3-[3-[(2,3-dihydroxybenzoyl)amino]propyl-[(4S,5R)-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]propyl]-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide, N-(3-(2,3-Dihydroxybenzamido)propyl)-1,3-bis((2,3-dihydroxyphenyl)-trans-5-methyl-2-oxazoline-4-carboxamido)propane
| Molecular Formula | C35H39N5O11 |
|---|---|
| Molecular Weight | 705.26 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 243.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 13 |
| Exact Mass | 705.2646 |
| Heavy Atoms | 51 |
| Complexity | 1280.0 |
Chemical Identifiers
| CAS Number | 88217-23-6 |
|---|---|
| SMILES | C[C@@H]1[C@H](N=C(O1)C2=C(C(=CC=C2)O)O)C(=O)N(CCCNC(=O)C3C(OC(=N3)C4=C(C(=CC=C4)O)O)C)CCCNC(=O)C5=C(C(=CC=C5)O)O |
| InChIKey | LLMKLMMXMOTPRU-ITZUCLMNSA-N |
Product Overview
Vibriobactin (CAS 88217-23-6), with molecular formula C35H39N5O11 and molecular weight 705.26 g/mol. IUPAC: N-[3-[3-[(2,3-dihydroxybenzoyl)amino]propyl-[(4S,5R)-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]propyl]-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide.
Chemical Property Profile of Vibriobactin
Property Insights of Vibriobactin
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vibriobactin. The TPSA of 243.0 Ų indicates high polarity, suggesting Vibriobactin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Vibriobactin has 8 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Vibriobactin?
The CAS number of Vibriobactin is 88217-23-6.
What is the molecular formula of Vibriobactin?
The molecular formula of Vibriobactin is C35H39N5O11.
What is the molecular weight of Vibriobactin?
The molecular weight of Vibriobactin is 705.26 g/mol.
Where can I buy Vibriobactin?
You can request a quote for Vibriobactin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vibriobactin?
Yes, KEHONG BIO provides custom synthesis services for Vibriobactin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.