Bleomycin B'1
TL;DR: Bleomycin B'1 (CAS 41138-54-9) is a chemical compound with molecular formula C50H73N17O21S2 and molecular weight 1311.46 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-carbamoyl-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: Bleomycinamide, Bleomycin B'1, Bleomycin B(1)', 1,4-Benzenedicarboxylic acid,bis(6-hydroxyhexyl) ester, 2-({2-[2-{[(6-amino-2-{3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl}-5-methylpyrimidin-4-yl)carbonyl]amino}-3-({5-[(1-{[2-(4-carbamoyl-2,4'-bi-1,3-thiazol-2'-yl)ethyl]amino}-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)tetrahydro-2h-pyran-3-yl}oxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-4-yl carbamate(non-preferred name)
| Molecular Formula | C50H73N17O21S2 |
|---|---|
| Molecular Weight | 1311.46 g/mol |
| LogP | -8.9 |
| Topological Polar Surface Area | 698.0 Ų |
| Hydrogen Bond Donors | 20 |
| Hydrogen Bond Acceptors | 31 |
| Rotatable Bonds | 32 |
| Exact Mass | 1311.4608 |
| Heavy Atoms | 90 |
| Complexity | 2450.0 |
Chemical Identifiers
| CAS Number | 41138-54-9 |
|---|---|
| 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)N)O |
| InChIKey | NYJRSYHHHBHHOR-UHFFFAOYSA-N |
Product Overview
Bleomycin B'1 (CAS 41138-54-9), with molecular formula C50H73N17O21S2 and molecular weight 1311.46 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-carbamoyl-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 B'1
Property Insights of Bleomycin B'1
The XLogP value of -8.9 indicates that Bleomycin B'1 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 698.0 Ų indicates high polarity, suggesting Bleomycin B'1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bleomycin B'1 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 Bleomycin B'1?
The CAS number of Bleomycin B'1 is 41138-54-9.
What is the molecular formula of Bleomycin B'1?
The molecular formula of Bleomycin B'1 is C50H73N17O21S2.
What is the molecular weight of Bleomycin B'1?
The molecular weight of Bleomycin B'1 is 1311.46 g/mol.
Where can I buy Bleomycin B'1?
You can request a quote for Bleomycin B'1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bleomycin B'1?
Yes, KEHONG BIO provides custom synthesis services for Bleomycin B'1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.