(N1-(3-(Dimethylsulfonio)propyl)bleomycinamidato)iron(2+)
TL;DR: (N1-(3-(Dimethylsulfonio)propyl)bleomycinamidato)iron(2+) (CAS 7460-35-7) is a chemical compound with molecular formula C55H81FeN17O21S3 and molecular weight 1467.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-amino-6-[[1-[3-[3,5-dihydroxy-6-(hydroxymethyl)-4-(C-oxidocarbonimidoyl)oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[[5-[[1-[2-[4-[4-(3-dimethylsulfoniopropylcarbamoyl)-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-oxopropan-2-yl]carbamoyl]-5-methylpyrimidin-2-yl]-3-[(2-amino-3-imino-3-oxidopropyl)amino]propanimidate;iron(2+)
Also Known As: Bleomycin-iron(II) complex, Bleomycin A2-iron(2+)complex, Bleomycin-iron(2+) complex, (N1-(3-(Dimethylsulfonio)propyl)bleomycinamidato)iron(2+), Iron(2+), (N1-(3-(dimethylsulfonio)propyl)bleomycinamidato)-
| Molecular Formula | C55H81FeN17O21S3 |
|---|---|
| Molecular Weight | 1467.43 g/mol |
| LogP | -8.78517 |
| Topological Polar Surface Area | 696.0 Ų |
| Hydrogen Bond Donors | 20 |
| Hydrogen Bond Acceptors | 34 |
| Rotatable Bonds | 36 |
| Exact Mass | 1467.4304 |
| Heavy Atoms | 97 |
| Complexity | 2580.0 |
Chemical Identifiers
| CAS Number | 7460-35-7 |
|---|---|
| SMILES | CC1=C(N=C(N=C1N)C(CC(=N)[O-])NCC(C(=N)[O-])N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=N)[O-])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.[Fe+2] |
| InChIKey | DPVQJKBGEWKYSQ-UHFFFAOYSA-L |
Product Overview
(N1-(3-(Dimethylsulfonio)propyl)bleomycinamidato)iron(2+) (CAS 7460-35-7), with molecular formula C55H81FeN17O21S3 and molecular weight 1467.43 g/mol. IUPAC: 3-[4-amino-6-[[1-[3-[3,5-dihydroxy-6-(hydroxymethyl)-4-(C-oxidocarbonimidoyl)oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[[5-[[1-[2-[4-[4-(3-dimethylsulfoniopropylcarbamoyl)-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-oxopropan-2-yl]carbamoyl]-5-methylpyrimidin-2-yl]-3-[(2-amino-3-imino-3-oxidopropyl)amino]propanimidate;iron(2+).
Chemical Property Profile of (N1-(3-(Dimethylsulfonio)propyl)bleomycinamidato)iron(2+)
Property Insights of (N1-(3-(Dimethylsulfonio)propyl)bleomycinamidato)iron(2+)
The XLogP value of -8.78517 indicates that (N1-(3-(Dimethylsulfonio)propyl)bleomycinamidato)iron(2+) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 696.0 Ų indicates high polarity, suggesting (N1-(3-(Dimethylsulfonio)propyl)bleomycinamidato)iron(2+) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (N1-(3-(Dimethylsulfonio)propyl)bleomycinamidato)iron(2+) has 20 hydrogen bond donor(s) and 34 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (N1-(3-(Dimethylsulfonio)propyl)bleomycinamidato)iron(2+)?
The CAS number of (N1-(3-(Dimethylsulfonio)propyl)bleomycinamidato)iron(2+) is 7460-35-7.
What is the molecular formula of (N1-(3-(Dimethylsulfonio)propyl)bleomycinamidato)iron(2+)?
The molecular formula of (N1-(3-(Dimethylsulfonio)propyl)bleomycinamidato)iron(2+) is C55H81FeN17O21S3.
What is the molecular weight of (N1-(3-(Dimethylsulfonio)propyl)bleomycinamidato)iron(2+)?
The molecular weight of (N1-(3-(Dimethylsulfonio)propyl)bleomycinamidato)iron(2+) is 1467.43 g/mol.
Where can I buy (N1-(3-(Dimethylsulfonio)propyl)bleomycinamidato)iron(2+)?
You can request a quote for (N1-(3-(Dimethylsulfonio)propyl)bleomycinamidato)iron(2+) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (N1-(3-(Dimethylsulfonio)propyl)bleomycinamidato)iron(2+)?
Yes, KEHONG BIO provides custom synthesis services for (N1-(3-(Dimethylsulfonio)propyl)bleomycinamidato)iron(2+) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.