Bleomycin B2 HCl
TL;DR: Bleomycin B2 HCl (CAS 55658-44-1) is a chemical compound with molecular formula C55H85ClN20O21S2 and molecular weight 1460.53 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-[4-(diaminomethylideneamino)butylcarbamoyl]-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;hydrochloride
Also Known As: Bleomycin B2 HCl, Bleomycin B2 hydrochloride, Bleomycinamide, N(sup 1)-(4-((aminoiminomethyl)amino)butyl)-, hydrochloride, [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-[4-(diaminomethylideneamino)butylcarbamoyl]-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 hydrochloride
| Molecular Formula | C55H85ClN20O21S2 |
|---|---|
| Molecular Weight | 1460.53 g/mol |
| LogP | -8.49618 |
| Topological Polar Surface Area | 691.47 Ų |
| Hydrogen Bond Donors | 22 |
| Hydrogen Bond Acceptors | 32 |
| Rotatable Bonds | 36 |
| Exact Mass | 1460.5328 |
| Heavy Atoms | 99 |
| Complexity | 3392.6357 |
Chemical Identifiers
| CAS Number | 55658-44-1 |
|---|---|
| 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)NCCCCN=C(N)N)O.Cl |
Product Overview
Bleomycin B2 HCl (CAS 55658-44-1), with molecular formula C55H85ClN20O21S2 and molecular weight 1460.53 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-[4-(diaminomethylideneamino)butylcarbamoyl]-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;hydrochloride.
Chemical Property Profile of Bleomycin B2 HCl
Property Insights of Bleomycin B2 HCl
The XLogP value of -8.49618 indicates that Bleomycin B2 HCl is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 691.47 Ų indicates high polarity, suggesting Bleomycin B2 HCl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bleomycin B2 HCl has 22 hydrogen bond donor(s) and 32 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bleomycin B2 HCl?
The CAS number of Bleomycin B2 HCl is 55658-44-1.
What is the molecular formula of Bleomycin B2 HCl?
The molecular formula of Bleomycin B2 HCl is C55H85ClN20O21S2.
What is the molecular weight of Bleomycin B2 HCl?
The molecular weight of Bleomycin B2 HCl is 1460.53 g/mol.
Where can I buy Bleomycin B2 HCl?
You can request a quote for Bleomycin B2 HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bleomycin B2 HCl?
Yes, KEHONG BIO provides custom synthesis services for Bleomycin B2 HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.