Parabactin
TL;DR: Parabactin (CAS 74149-70-5) is a chemical compound with molecular formula C32H36N4O9 and molecular weight 620.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S,5R)-N-[4-[(2,3-dihydroxybenzoyl)amino]butyl]-N-[3-[(2,3-dihydroxybenzoyl)amino]propyl]-2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide
Also Known As: Parabactin, Ferric parabactin, L-Parabactin, 33964-EP2275420A1, 33964-EP2295055A2
| Molecular Formula | C32H36N4O9 |
|---|---|
| Molecular Weight | 620.25 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 201.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 620.2482 |
| Heavy Atoms | 45 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 74149-70-5 |
|---|---|
| SMILES | C[C@@H]1[C@H](N=C(O1)C2=CC=CC=C2O)C(=O)N(CCCCNC(=O)C3=C(C(=CC=C3)O)O)CCCNC(=O)C4=C(C(=CC=C4)O)O |
| InChIKey | FRCJDPPXHQGEKS-BCHFMIIMSA-N |
Product Overview
Parabactin (CAS 74149-70-5), with molecular formula C32H36N4O9 and molecular weight 620.25 g/mol. IUPAC: (4S,5R)-N-[4-[(2,3-dihydroxybenzoyl)amino]butyl]-N-[3-[(2,3-dihydroxybenzoyl)amino]propyl]-2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide.
Chemical Property Profile of Parabactin
Property Insights of Parabactin
The XLogP value of 4.0 indicates that Parabactin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 201.0 Ų indicates high polarity, suggesting Parabactin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Parabactin has 7 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 Parabactin?
The CAS number of Parabactin is 74149-70-5.
What is the molecular formula of Parabactin?
The molecular formula of Parabactin is C32H36N4O9.
What is the molecular weight of Parabactin?
The molecular weight of Parabactin is 620.25 g/mol.
Where can I buy Parabactin?
You can request a quote for Parabactin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Parabactin?
Yes, KEHONG BIO provides custom synthesis services for Parabactin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.