平陽黴素
TL;DR: 平陽黴素 (CAS 11116-32-8) is a chemical compound with molecular formula C57H89N19O21S2 and molecular weight 1439.59 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
平陽黴素
[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-[3-(4-aminobutylamino)propylcarbamoyl]-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 A5, Pingyangmycin, Bleomycetin, Pingyangmycin [Chinese], Zhengguangmycin A5
| Molecular Formula | C57H89N19O21S2 |
|---|---|
| Molecular Weight | 1439.59 g/mol |
| LogP | -8.8 |
| Topological Polar Surface Area | 722.0 Ų |
| Hydrogen Bond Donors | 22 |
| Hydrogen Bond Acceptors | 33 |
| Rotatable Bonds | 40 |
| Exact Mass | 1439.5922 |
| Heavy Atoms | 99 |
| Complexity | 2620.0 |
Chemical Identifiers
| CAS Number | 11116-32-8 |
|---|---|
| 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)NCCCNCCCCN)O |
| InChIKey | QYOAUOAXCQAEMW-UHFFFAOYSA-N |
Product Overview
平陽黴素 (CAS 11116-32-8), with molecular formula C57H89N19O21S2 and molecular weight 1439.59 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-[3-(4-aminobutylamino)propylcarbamoyl]-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 平陽黴素
Property Insights of 平陽黴素
The XLogP value of -8.8 indicates that 平陽黴素 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 722.0 Ų indicates high polarity, suggesting 平陽黴素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 平陽黴素 has 22 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 平陽黴素?
The CAS number of 平陽黴素 is 11116-32-8.
What is the molecular formula of 平陽黴素?
The molecular formula of 平陽黴素 is C57H89N19O21S2.
What is the molecular weight of 平陽黴素?
The molecular weight of 平陽黴素 is 1439.59 g/mol.
Where can I buy 平陽黴素?
You can request a quote for 平陽黴素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 平陽黴素?
Yes, KEHONG BIO provides custom synthesis services for 平陽黴素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.