Agrobactin
TL;DR: Agrobactin (CAS 70393-50-9) is a chemical compound with molecular formula C32H36N4O10 and molecular weight 636.24 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-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide
Also Known As: Agrobactin, Ferriagrobactin, L-Agrobactin, HY-N14935, (4S,5R)-N-[4-[(2,3-dihydroxybenzoyl)amino]butyl]-N-[3-[(2,3-dihydroxybenzoyl)amino]propyl]-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide
| Molecular Formula | C32H36N4O10 |
|---|---|
| Molecular Weight | 636.24 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 221.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 13 |
| Exact Mass | 636.24316 |
| Heavy Atoms | 46 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 70393-50-9 |
|---|---|
| SMILES | C[C@@H]1[C@H](N=C(O1)C2=C(C(=CC=C2)O)O)C(=O)N(CCCCNC(=O)C3=C(C(=CC=C3)O)O)CCCNC(=O)C4=C(C(=CC=C4)O)O |
| InChIKey | BWPMKVHHFNGYEN-CJAUYULYSA-N |
Product Overview
Agrobactin (CAS 70393-50-9), with molecular formula C32H36N4O10 and molecular weight 636.24 g/mol. IUPAC: (4S,5R)-N-[4-[(2,3-dihydroxybenzoyl)amino]butyl]-N-[3-[(2,3-dihydroxybenzoyl)amino]propyl]-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide.
Chemical Property Profile of Agrobactin
Property Insights of Agrobactin
The XLogP value of 3.6 indicates that Agrobactin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 221.0 Ų indicates high polarity, suggesting Agrobactin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Agrobactin has 8 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Agrobactin?
The CAS number of Agrobactin is 70393-50-9.
What is the molecular formula of Agrobactin?
The molecular formula of Agrobactin is C32H36N4O10.
What is the molecular weight of Agrobactin?
The molecular weight of Agrobactin is 636.24 g/mol.
Where can I buy Agrobactin?
You can request a quote for Agrobactin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Agrobactin?
Yes, KEHONG BIO provides custom synthesis services for Agrobactin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.