博来霉素B2
TL;DR: 博来霉素B2 (CAS 9060-10-0) is a chemical compound with molecular formula C55H84N20O21S2 and molecular weight 1424.56 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
博来霉素B2
[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
Also Known As: bleomycin B2, Phleomycin D2, Dehydrophleomycin D1, Bleomycin B(sub 2), N1-(4-((Aminoiminomethyl)amino)butyl)bleomycinamide
| Molecular Formula | C55H84N20O21S2 |
|---|---|
| Molecular Weight | 1424.56 g/mol |
| LogP | -9.3 |
| Topological Polar Surface Area | 748.0 Ų |
| Hydrogen Bond Donors | 22 |
| Hydrogen Bond Acceptors | 32 |
| Rotatable Bonds | 37 |
| Exact Mass | 1424.5562 |
| Heavy Atoms | 98 |
| Complexity | 2680.0 |
Chemical Identifiers
| CAS Number | 9060-10-0 |
|---|---|
| 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 |
| InChIKey | NBLHOLNNKJBEDC-UHFFFAOYSA-N |
Product Overview
博来霉素B2 (CAS 9060-10-0), with molecular formula C55H84N20O21S2 and molecular weight 1424.56 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.
Chemical Property Profile of 博来霉素B2
Property Insights of 博来霉素B2
The XLogP value of -9.3 indicates that 博来霉素B2 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 748.0 Ų indicates high polarity, suggesting 博来霉素B2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 博来霉素B2 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 博来霉素B2?
The CAS number of 博来霉素B2 is 9060-10-0.
What is the molecular formula of 博来霉素B2?
The molecular formula of 博来霉素B2 is C55H84N20O21S2.
What is the molecular weight of 博来霉素B2?
The molecular weight of 博来霉素B2 is 1424.56 g/mol.
Where can I buy 博来霉素B2?
You can request a quote for 博来霉素B2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 博来霉素B2?
Yes, KEHONG BIO provides custom synthesis services for 博来霉素B2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.