Antibiotic LL BB 547-beta
TL;DR: Antibiotic LL BB 547-beta (CAS 61394-76-1) is a chemical compound with molecular formula C26H45N15O10 and molecular weight 727.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(6E)-3-(2-amino-4-hydroxy-1,4,5,6-tetrahydropyrimidin-6-yl)-6-[(carbamoylamino)methylidene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclohexadec-15-yl]-5-(diaminomethylideneamino)-3-(methylamino)pentanamide
Also Known As: Antibiotic LL BB 547-beta, LL-BB-547-B'', RefChem:1077071, BRN 0877058
| Molecular Formula | C26H45N15O10 |
|---|---|
| Molecular Weight | 727.35 g/mol |
| LogP | -9.6975 |
| Topological Polar Surface Area | 417.25 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 11 |
| Exact Mass | 727.3474 |
| Heavy Atoms | 51 |
| Complexity | 1402.6787 |
Chemical Identifiers
| CAS Number | 61394-76-1 |
|---|---|
| SMILES | CNC(CCN=C(N)N)CC(=O)NC1CNC(=O)C(NC(=O)/C(=C\NC(=O)N)/NC(=O)C(NC(=O)C(NC1=O)CO)CO)C2CC(N=C(N2)N)O |
Product Overview
Antibiotic LL BB 547-beta (CAS 61394-76-1), with molecular formula C26H45N15O10 and molecular weight 727.35 g/mol. IUPAC: N-[(6E)-3-(2-amino-4-hydroxy-1,4,5,6-tetrahydropyrimidin-6-yl)-6-[(carbamoylamino)methylidene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclohexadec-15-yl]-5-(diaminomethylideneamino)-3-(methylamino)pentanamide.
Chemical Property Profile of Antibiotic LL BB 547-beta
Property Insights of Antibiotic LL BB 547-beta
The XLogP value of -9.6975 indicates that Antibiotic LL BB 547-beta is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 417.25 Ų indicates high polarity, suggesting Antibiotic LL BB 547-beta may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Antibiotic LL BB 547-beta has 16 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 Antibiotic LL BB 547-beta?
The CAS number of Antibiotic LL BB 547-beta is 61394-76-1.
What is the molecular formula of Antibiotic LL BB 547-beta?
The molecular formula of Antibiotic LL BB 547-beta is C26H45N15O10.
What is the molecular weight of Antibiotic LL BB 547-beta?
The molecular weight of Antibiotic LL BB 547-beta is 727.35 g/mol.
Where can I buy Antibiotic LL BB 547-beta?
You can request a quote for Antibiotic LL BB 547-beta directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Antibiotic LL BB 547-beta?
Yes, KEHONG BIO provides custom synthesis services for Antibiotic LL BB 547-beta and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.