肠螯合素
TL;DR: 肠螯合素 (CAS 9001-98-3) 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.
肠螯合素
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
| 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 | 9001-98-3 |
|---|---|
| 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 Overview
肠螯合素 (CAS 9001-98-3), with molecular formula C30H27N3O15 and molecular weight 669.14 g/mol. IUPAC: N-[7,11-bis[(2,3-dihydroxybenzoyl)amino]-2,6,10-trioxo-1,5,9-trioxacyclododec-3-yl]-2,3-dihydroxybenzamide.
Chemical Property Profile of 肠螯合素
Property Insights of 肠螯合素
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 肠螯合素. The TPSA of 288.0 Ų indicates high polarity, suggesting 肠螯合素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 肠螯合素 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 肠螯合素?
The CAS number of 肠螯合素 is 9001-98-3.
What is the molecular formula of 肠螯合素?
The molecular formula of 肠螯合素 is C30H27N3O15.
What is the molecular weight of 肠螯合素?
The molecular weight of 肠螯合素 is 669.14 g/mol.
Where can I buy 肠螯合素?
You can request a quote for 肠螯合素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 肠螯合素?
Yes, KEHONG BIO provides custom synthesis services for 肠螯合素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.