Pneumocandin Bo
TL;DR: Pneumocandin Bo (CAS 135575-42-7) is a chemical compound with molecular formula C50H80N8O17 and molecular weight 1064.56 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S)-3-[(1S)-3-amino-1-hydroxy-3-oxopropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-15-[(1S)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide
Also Known As: Pneumocandin B0, Pneumocandin Bo, Pneumocandin B(0), Pneumocardin B(0), s9200
| Molecular Formula | C50H80N8O17 |
|---|---|
| Molecular Weight | 1064.56 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 411.0 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 20 |
| Exact Mass | 1064.5641 |
| Heavy Atoms | 75 |
| Complexity | 1930.0 |
Chemical Identifiers
| CAS Number | 135575-42-7 |
|---|---|
| SMILES | CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@H]([C@H](NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC1=O)[C@H](C)O)O)[C@@H]([C@H](C4=CC=C(C=C4)O)O)O)[C@H](CC(=O)N)O)O)O)O |
| InChIKey | DQXPFAADCTZLNL-YSHLLHMASA-N |
Product Overview
Pneumocandin Bo (CAS 135575-42-7), with molecular formula C50H80N8O17 and molecular weight 1064.56 g/mol. IUPAC: N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S)-3-[(1S)-3-amino-1-hydroxy-3-oxopropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-15-[(1S)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide.
Chemical Property Profile of Pneumocandin Bo
Property Insights of Pneumocandin Bo
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pneumocandin Bo. The TPSA of 411.0 Ų indicates high polarity, suggesting Pneumocandin Bo may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pneumocandin Bo has 15 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pneumocandin Bo?
The CAS number of Pneumocandin Bo is 135575-42-7.
What is the molecular formula of Pneumocandin Bo?
The molecular formula of Pneumocandin Bo is C50H80N8O17.
What is the molecular weight of Pneumocandin Bo?
The molecular weight of Pneumocandin Bo is 1064.56 g/mol.
Where can I buy Pneumocandin Bo?
You can request a quote for Pneumocandin Bo directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pneumocandin Bo?
Yes, KEHONG BIO provides custom synthesis services for Pneumocandin Bo and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.