Enterobactin
TL;DR: Enterobactin (CAS 28384-96-5) is a chemical compound with molecular formula C30H27N3O15 and molecular weight 669.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3S,7S,11S)-7,11-bis[(2,3-dihydroxybenzoyl)amino]-2,6,10-trioxo-1,5,9-trioxacyclododec-3-yl]-2,3-dihydroxybenzamide
Also Known As: enterobactin, Enterochelin, Enterochellin, 2xuz, H6ent
| Molecular Formula | C30H27N3O15 |
|---|---|
| Molecular Weight | 669.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 288.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 6 |
| Exact Mass | 669.1442 |
| Heavy Atoms | 48 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 28384-96-5 |
|---|---|
| SMILES | C1[C@@H](C(=O)OC[C@@H](C(=O)OC[C@@H](C(=O)O1)NC(=O)C2=C(C(=CC=C2)O)O)NC(=O)C3=C(C(=CC=C3)O)O)NC(=O)C4=C(C(=CC=C4)O)O |
| InChIKey | SERBHKJMVBATSJ-BZSNNMDCSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Enterobactin (CAS 28384-96-5), with molecular formula C30H27N3O15 and molecular weight 669.14 g/mol. IUPAC: N-[(3S,7S,11S)-7,11-bis[(2,3-dihydroxybenzoyl)amino]-2,6,10-trioxo-1,5,9-trioxacyclododec-3-yl]-2,3-dihydroxybenzamide.
Chemical Property Profile of Enterobactin
Property Insights of Enterobactin
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Enterobactin. The TPSA of 288.0 Ų indicates high polarity, suggesting Enterobactin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Enterobactin has 9 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Enterobactin?
The CAS number of Enterobactin is 28384-96-5.
What is the molecular formula of Enterobactin?
The molecular formula of Enterobactin is C30H27N3O15.
What is the molecular weight of Enterobactin?
The molecular weight of Enterobactin is 669.14 g/mol.
Where can I buy Enterobactin?
You can request a quote for Enterobactin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Enterobactin?
Yes, KEHONG BIO provides custom synthesis services for Enterobactin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.