Di-beta-lysyl capreomycin iia
TL;DR: Di-beta-lysyl capreomycin iia (CAS 74240-43-0) is a chemical compound with molecular formula C31H56N16O9 and molecular weight 796.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-diamino-N-[[(8E)-11-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-8-[(carbamoylamino)methylidene]-15-(3,6-diaminohexanoylamino)-2-(hydroxymethyl)-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentazacyclohexadec-5-yl]methyl]hexanamide
Also Known As: DBLCA, Di-beta-lysyl capreomycin iia, Capreomycin IA, 5-(L-2-((3,6-diamino-1-oxohexyl)amino)-beta-alanine)-, (S)-, 3,6-diamino-N-[[(8E)-11-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-8-[(carbamoylamino)methylidene]-15-(3,6-diaminohexanoylamino)-2-(hydroxymethyl)-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentazacyclohexadec-5-yl]methyl]hexanamide
| Molecular Formula | C31H56N16O9 |
|---|---|
| Molecular Weight | 796.44 g/mol |
| LogP | -8.621 |
| Topological Polar Surface Area | 433.54 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 16 |
| Exact Mass | 796.4416 |
| Heavy Atoms | 56 |
| Complexity | 1477.7764 |
Chemical Identifiers
| CAS Number | 74240-43-0 |
|---|---|
| SMILES | C1CN=C(NC1C2C(=O)NCC(C(=O)NC(C(=O)NC(C(=O)N/C(=C/NC(=O)N)/C(=O)N2)CNC(=O)CC(CCCN)N)CO)NC(=O)CC(CCCN)N)N |
Product Overview
Di-beta-lysyl capreomycin iia (CAS 74240-43-0), with molecular formula C31H56N16O9 and molecular weight 796.44 g/mol. IUPAC: 3,6-diamino-N-[[(8E)-11-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-8-[(carbamoylamino)methylidene]-15-(3,6-diaminohexanoylamino)-2-(hydroxymethyl)-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentazacyclohexadec-5-yl]methyl]hexanamide.
Chemical Property Profile of Di-beta-lysyl capreomycin iia
Property Insights of Di-beta-lysyl capreomycin iia
The XLogP value of -8.621 indicates that Di-beta-lysyl capreomycin iia is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 433.54 Ų indicates high polarity, suggesting Di-beta-lysyl capreomycin iia may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Di-beta-lysyl capreomycin iia has 16 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Di-beta-lysyl capreomycin iia?
The CAS number of Di-beta-lysyl capreomycin iia is 74240-43-0.
What is the molecular formula of Di-beta-lysyl capreomycin iia?
The molecular formula of Di-beta-lysyl capreomycin iia is C31H56N16O9.
What is the molecular weight of Di-beta-lysyl capreomycin iia?
The molecular weight of Di-beta-lysyl capreomycin iia is 796.44 g/mol.
Where can I buy Di-beta-lysyl capreomycin iia?
You can request a quote for Di-beta-lysyl capreomycin iia directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Di-beta-lysyl capreomycin iia?
Yes, KEHONG BIO provides custom synthesis services for Di-beta-lysyl capreomycin iia and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.