Enterochellin
TL;DR: Enterochellin (CAS 9001-98-3) is a chemical compound with molecular formula C30H27N3O15 and molecular weight 669.1442 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[7,11-bis[(2,3-dihydroxybenzoyl)amino]-2,6,10-trioxo-1,5,9-trioxacyclododec-3-yl]-2,3-dihydroxybenzamide
Also Known As: enterobactin, Enterochellin, Rennin ,, Enantioenterobactin, RENNIN
Technical Specifications
| Molecular Formula | C30H27N3O15 |
| Molecular Weight | 669.1442 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 288.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 6 |
| Exact Mass | 669.1442 Da |
| Heavy Atoms | 48 |
| Complexity | 1060.0 |
| SMILES | C1C(C(=O)OCC(C(=O)OCC(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-UHFFFAOYSA-N |
Product Description
Applications: Enterochellin is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Enterochellin (CAS 9001-98-3) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Enterochellin is a fine chemical identified by CAS number 9001-98-3 and the molecular formula C30H27N3O15 and a molecular weight of 669.14 g/mol. It is also known as enterobactin and Enterochellin.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Enterochellin
Property Insights of Enterochellin
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Enterochellin. The TPSA of 288.0 Ų indicates high polarity, suggesting Enterochellin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Enterochellin has 9 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Enterochellin?
The CAS number of Enterochellin is 9001-98-3.
What is the molecular formula of Enterochellin?
The molecular formula of Enterochellin is C30H27N3O15.
What is the molecular weight of Enterochellin?
The molecular weight of Enterochellin is 669.1442 g/mol.
What are the applications of Enterochellin?
Enterochellin is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Enterochellin (CAS 9001-98-3) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and...
Where can I buy Enterochellin?
You can request a quote for Enterochellin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Enterochellin?
Yes, CoreyChem provides custom synthesis services for Enterochellin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.