Isobleomycin A2
TL;DR: Isobleomycin A2 (CAS 11056-06-7) is a chemical compound with molecular formula C55H84N17O21S3+ and molecular weight 1414.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-[2-[2-[[2-[[4-[[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[3-[4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium
Also Known As: bleomycin, bleomycin a2, Isobleomycin A2, Bleomycin sulfate, Bleomycin hydrochloride
| Molecular Formula | C55H84N17O21S3+ |
|---|---|
| Molecular Weight | 1414.52 g/mol |
| LogP | -7.5 |
| Topological Polar Surface Area | 685.0 Ų |
| Hydrogen Bond Donors | 20 |
| Hydrogen Bond Acceptors | 31 |
| Rotatable Bonds | 36 |
| Exact Mass | 1414.5189 |
| Heavy Atoms | 96 |
| Complexity | 2580.0 |
Chemical Identifiers
| CAS Number | 11056-06-7 |
|---|---|
| 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)NCCC[S+](C)C)O |
| InChIKey | OYVAGSVQBOHSSS-UHFFFAOYSA-O |
Product Overview
Isobleomycin A2 (CAS 11056-06-7), with molecular formula C55H84N17O21S3+ and molecular weight 1414.52 g/mol. IUPAC: 3-[[2-[2-[2-[[2-[[4-[[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[3-[4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium.
Chemical Property Profile of Isobleomycin A2
Property Insights of Isobleomycin A2
The XLogP value of -7.5 indicates that Isobleomycin A2 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 685.0 Ų indicates high polarity, suggesting Isobleomycin A2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isobleomycin A2 has 20 hydrogen bond donor(s) and 31 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isobleomycin A2?
The CAS number of Isobleomycin A2 is 11056-06-7.
What is the molecular formula of Isobleomycin A2?
The molecular formula of Isobleomycin A2 is C55H84N17O21S3+.
What is the molecular weight of Isobleomycin A2?
The molecular weight of Isobleomycin A2 is 1414.52 g/mol.
Where can I buy Isobleomycin A2?
You can request a quote for Isobleomycin A2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobleomycin A2?
Yes, KEHONG BIO provides custom synthesis services for Isobleomycin A2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.