Bleomycin B4 hydrochloride
TL;DR: Bleomycin B4 hydrochloride (CAS 61287-31-8) is a chemical compound with molecular formula C60H96ClN23O21S2 and molecular weight 1573.63 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4S,5R,6R)-2-[(2R,3S,4R,5S,6S)-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-[carbamimidoyl-[4-(diaminomethylideneamino)butyl]amino]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 B4 HCl, Bleomycin B4 hydrochloride, Bleomycinamide, N(sup 1)-(4-((aminoiminomethyl)(4-((aminoiminomethyl)amino)butyl)amino)butyl)-, hydrochloride, [(2R,3S,4S,5R,6R)-2-[(2R,3S,4R,5S,6S)-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-[carbamimidoyl-[4-(diaminomethylideneamino)butyl]amino]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 | C60H96ClN23O21S2 |
|---|---|
| Molecular Weight | 1573.63 g/mol |
| LogP | -8.52 |
| Topological Polar Surface Area | 801.0 Ų |
| Hydrogen Bond Donors | 25 |
| Hydrogen Bond Acceptors | 33 |
| Rotatable Bonds | 43 |
| Exact Mass | 1573.628 |
| Heavy Atoms | 107 |
| Complexity | 2920.0 |
Chemical Identifiers
| CAS Number | 61287-31-8 |
|---|---|
| SMILES | CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)O[C@H]3[C@H]([C@@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](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(CCCCN=C(N)N)C(=N)N)O.Cl |
| InChIKey | QFIGACVSDDJISY-AXICBEQGSA-N |
Product Overview
Bleomycin B4 hydrochloride (CAS 61287-31-8), with molecular formula C60H96ClN23O21S2 and molecular weight 1573.63 g/mol. IUPAC: [(2R,3S,4S,5R,6R)-2-[(2R,3S,4R,5S,6S)-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-[carbamimidoyl-[4-(diaminomethylideneamino)butyl]amino]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 B4 hydrochloride
Property Insights of Bleomycin B4 hydrochloride
The XLogP value of -8.52 indicates that Bleomycin B4 hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 801.0 Ų indicates high polarity, suggesting Bleomycin B4 hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bleomycin B4 hydrochloride has 25 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 B4 hydrochloride?
The CAS number of Bleomycin B4 hydrochloride is 61287-31-8.
What is the molecular formula of Bleomycin B4 hydrochloride?
The molecular formula of Bleomycin B4 hydrochloride is C60H96ClN23O21S2.
What is the molecular weight of Bleomycin B4 hydrochloride?
The molecular weight of Bleomycin B4 hydrochloride is 1573.63 g/mol.
Where can I buy Bleomycin B4 hydrochloride?
You can request a quote for Bleomycin B4 hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bleomycin B4 hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Bleomycin B4 hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.