Bleomycin B4
TL;DR: Bleomycin B4 (CAS 9060-11-1) is a chemical compound with molecular formula C60H95N23O21S2 and molecular weight 1537.65 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-[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
Also Known As: Bleomycin B4, Phleomycin F, Dehydrophleomycin E, [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-[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, BLEOMYCIN SULFATE IMPURITY C [EP IMPURITY]
| Molecular Formula | C60H95N23O21S2 |
|---|---|
| Molecular Weight | 1537.65 g/mol |
| LogP | -9.6 |
| Topological Polar Surface Area | 801.0 Ų |
| Hydrogen Bond Donors | 24 |
| Hydrogen Bond Acceptors | 33 |
| Rotatable Bonds | 43 |
| Exact Mass | 1537.6515 |
| Heavy Atoms | 106 |
| Complexity | 2920.0 |
Chemical Identifiers
| CAS Number | 9060-11-1 |
|---|---|
| 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(CCCCN=C(N)N)C(=N)N)O |
| InChIKey | XRKOAIXTCFOKJS-UHFFFAOYSA-N |
Product Overview
Bleomycin B4 (CAS 9060-11-1), with molecular formula C60H95N23O21S2 and molecular weight 1537.65 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-[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.
Chemical Property Profile of Bleomycin B4
Property Insights of Bleomycin B4
The XLogP value of -9.6 indicates that Bleomycin B4 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 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bleomycin B4 has 24 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?
The CAS number of Bleomycin B4 is 9060-11-1.
What is the molecular formula of Bleomycin B4?
The molecular formula of Bleomycin B4 is C60H95N23O21S2.
What is the molecular weight of Bleomycin B4?
The molecular weight of Bleomycin B4 is 1537.65 g/mol.
Where can I buy Bleomycin B4?
You can request a quote for Bleomycin B4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bleomycin B4?
Yes, KEHONG BIO provides custom synthesis services for Bleomycin B4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.