Bleomycin A5196
TL;DR: Bleomycin A5196 (CAS 58071-32-2) is a chemical compound with molecular formula C64H99ClN20O21S2 and molecular weight 1582.64 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[2-[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[5-[[1-[2-[4-[4-[3-[3-[[1-amino-2-(4-chlorocyclohexyl)ethylidene]amino]propylamino]propylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-4-methyl-5-oxopentan-2-yl]amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate
Also Known As: Bleomycin A5196, Bleomycin-A5196, Antibiotic A 5196, A 5196, N1-(3-((3-((2-(4-Chlorocyclohexyl)-1-iminoethyl)amino)propyl)amino)propyl)bleomycinamide
| Molecular Formula | C64H99ClN20O21S2 |
|---|---|
| Molecular Weight | 1582.64 g/mol |
| LogP | -7.1 |
| Topological Polar Surface Area | 734.0 Ų |
| Hydrogen Bond Donors | 22 |
| Hydrogen Bond Acceptors | 33 |
| Rotatable Bonds | 42 |
| Exact Mass | 1582.6423 |
| Heavy Atoms | 108 |
| Complexity | 2940.0 |
Chemical Identifiers
| CAS Number | 58071-32-2 |
|---|---|
| SMILES | CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCCNCCCN=C(CC7CCC(CC7)Cl)N)O |
| InChIKey | IPUPASGXCCCXGQ-UHFFFAOYSA-N |
Product Overview
Bleomycin A5196 (CAS 58071-32-2), with molecular formula C64H99ClN20O21S2 and molecular weight 1582.64 g/mol. IUPAC: [2-[2-[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[5-[[1-[2-[4-[4-[3-[3-[[1-amino-2-(4-chlorocyclohexyl)ethylidene]amino]propylamino]propylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-4-methyl-5-oxopentan-2-yl]amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate.
Chemical Property Profile of Bleomycin A5196
Property Insights of Bleomycin A5196
The XLogP value of -7.1 indicates that Bleomycin A5196 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 734.0 Ų indicates high polarity, suggesting Bleomycin A5196 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bleomycin A5196 has 22 hydrogen bond donor(s) and 33 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bleomycin A5196?
The CAS number of Bleomycin A5196 is 58071-32-2.
What is the molecular formula of Bleomycin A5196?
The molecular formula of Bleomycin A5196 is C64H99ClN20O21S2.
What is the molecular weight of Bleomycin A5196?
The molecular weight of Bleomycin A5196 is 1582.64 g/mol.
Where can I buy Bleomycin A5196?
You can request a quote for Bleomycin A5196 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bleomycin A5196?
Yes, KEHONG BIO provides custom synthesis services for Bleomycin A5196 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.