Asterobactin
TL;DR: Asterobactin (CAS 482372-30-5) is a chemical compound with molecular formula C34H55N7O13 and molecular weight 769.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[[1-[1-[[5-[carbamimidoyl(hydroxy)amino]-1-(hydroxyamino)-1-oxopentan-2-yl]amino]-2-methyl-1-oxoundecan-3-yl]oxy-5-[formyl(hydroxy)amino]-1-oxopentan-2-yl]amino]-2-hydroxy-3-oxopropyl] 2-hydroxybenzoate
Also Known As: Asterobactin, Asterobactin A, J1.821.419I, (3-((1-(1-((5-(carbamimidoyl(hydroxy)amino)-1-(hydroxyamino)-1-oxopentan-2-yl)amino)-2-methyl-1-oxoundecan-3-yl)oxy-5-(formyl(hydroxy)amino)-1-oxopentan-2-yl)amino)-2-hydroxy-3-oxopropyl) 2-hydroxybenzoate, [3-[[1-[1-[[5-[carbamimidoyl(hydroxy)amino]-1-(hydroxyamino)-1-oxopentan-2-yl]amino]-2-methyl-1-oxoundecan-3-yl]oxy-5-[formyl(hydroxy)amino]-1-oxopentan-2-yl]amino]-2-hydroxy-3-oxopropyl] 2-hydroxybenzoate
| Molecular Formula | C34H55N7O13 |
|---|---|
| Molecular Weight | 769.39 g/mol |
| LogP | 0.67607 |
| Topological Polar Surface Area | 314.47 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 27 |
| Exact Mass | 769.3858 |
| Heavy Atoms | 54 |
| Complexity | 1368.8223 |
Chemical Identifiers
| CAS Number | 482372-30-5 |
|---|---|
| SMILES | CCCCCCCCC(C(C)C(=O)NC(CCCN(C(=N)N)O)C(=O)NO)OC(=O)C(CCCN(C=O)O)NC(=O)C(COC(=O)C1=CC=CC=C1O)O |
Product Overview
Asterobactin (CAS 482372-30-5), with molecular formula C34H55N7O13 and molecular weight 769.39 g/mol. IUPAC: [3-[[1-[1-[[5-[carbamimidoyl(hydroxy)amino]-1-(hydroxyamino)-1-oxopentan-2-yl]amino]-2-methyl-1-oxoundecan-3-yl]oxy-5-[formyl(hydroxy)amino]-1-oxopentan-2-yl]amino]-2-hydroxy-3-oxopropyl] 2-hydroxybenzoate.
Chemical Property Profile of Asterobactin
Property Insights of Asterobactin
The XLogP value of 0.67607 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Asterobactin. The TPSA of 314.47 Ų indicates high polarity, suggesting Asterobactin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Asterobactin has 10 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Asterobactin?
The CAS number of Asterobactin is 482372-30-5.
What is the molecular formula of Asterobactin?
The molecular formula of Asterobactin is C34H55N7O13.
What is the molecular weight of Asterobactin?
The molecular weight of Asterobactin is 769.39 g/mol.
Where can I buy Asterobactin?
You can request a quote for Asterobactin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Asterobactin?
Yes, KEHONG BIO provides custom synthesis services for Asterobactin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.