Bleomycin bae
TL;DR: Bleomycin bae (CAS 50831-51-1) is a chemical compound with molecular formula C60H83N17O23S2 and molecular weight 1473.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzamidopropyl 2-[2-[2-[[2-[[4-[[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[3-[4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate
Also Known As: BLEOMYCIN BAE, 3-Benzamidopropyl 2'-[1-(6-amino-2-{3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl}-5-methylpyrimidin-4-yl)-3-[{[3-{[4-(carbamoyloxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}(1H-imidazol-5-yl)methyl]-7-hydroxy-11-(1-hydroxyethyl)-6,8-dimethyl-1,4,9,12-tetraoxo-2,5,10,13-tetraazapentadecan-15-yl][2,4'-bi-1,3-thiazole]-4-carboxylate, 3-benzamidopropyl 2-[2-[2-[[2-[[4-[[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[3-[4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate
| Molecular Formula | C60H83N17O23S2 |
|---|---|
| Molecular Weight | 1473.53 g/mol |
| LogP | -6.6 |
| Topological Polar Surface Area | 710.0 Ų |
| Hydrogen Bond Donors | 20 |
| Hydrogen Bond Acceptors | 33 |
| Rotatable Bonds | 38 |
| Exact Mass | 1473.5289 |
| Heavy Atoms | 102 |
| Complexity | 2790.0 |
Chemical Identifiers
| CAS Number | 50831-51-1 |
|---|---|
| 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)OCCCNC(=O)C7=CC=CC=C7)O |
| InChIKey | HZQREHNFONXILX-UHFFFAOYSA-N |
Product Overview
Bleomycin bae (CAS 50831-51-1), with molecular formula C60H83N17O23S2 and molecular weight 1473.53 g/mol. IUPAC: 3-benzamidopropyl 2-[2-[2-[[2-[[4-[[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[3-[4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate.
Chemical Property Profile of Bleomycin bae
Property Insights of Bleomycin bae
The XLogP value of -6.6 indicates that Bleomycin bae is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 710.0 Ų indicates high polarity, suggesting Bleomycin bae may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bleomycin bae has 20 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 bae?
The CAS number of Bleomycin bae is 50831-51-1.
What is the molecular formula of Bleomycin bae?
The molecular formula of Bleomycin bae is C60H83N17O23S2.
What is the molecular weight of Bleomycin bae?
The molecular weight of Bleomycin bae is 1473.53 g/mol.
Where can I buy Bleomycin bae?
You can request a quote for Bleomycin bae directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bleomycin bae?
Yes, KEHONG BIO provides custom synthesis services for Bleomycin bae and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.