L 705589
TL;DR: L 705589 (CAS 150220-81-8) is a chemical compound with molecular formula C52H85N9O17 and molecular weight 1107.61 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,26R)-21-(2-aminoethoxy)-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,26-trihydroxy-15-[(1R)-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-Bo DERIVITIVE, L 705589, L-705589, N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,26R)-21-(2-Aminoethoxy)-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,26-trihydroxy-15-[(1R)-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, N-((2R,6S,9S,11R,12R,14aS,16R,20S,23S,25aS)-20-((R)-3-amino-1-hydroxy-3-oxopropyl)-12-(2-aminoethoxy)-23-((1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl)-2,11,16-trihydroxy-6-((R)-1-hydroxyethyl)-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl)-10,12-dimethyltetradecanamide
| Molecular Formula | C52H85N9O17 |
|---|---|
| Molecular Weight | 1107.61 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 426.0 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 23 |
| Exact Mass | 1107.6063 |
| Heavy Atoms | 78 |
| Complexity | 1980.0 |
Chemical Identifiers
| CAS Number | 150220-81-8 |
|---|---|
| SMILES | CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@H]([C@H](NC(=O)[C@@H]2C[C@H](CN2C(=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)OCCN)O |
| InChIKey | ZCNYHIMDCYQWRN-OPIWARQOSA-N |
Product Overview
L 705589 (CAS 150220-81-8), with molecular formula C52H85N9O17 and molecular weight 1107.61 g/mol. IUPAC: N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,26R)-21-(2-aminoethoxy)-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,26-trihydroxy-15-[(1R)-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 L 705589
Property Insights of L 705589
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for L 705589. The TPSA of 426.0 Ų indicates high polarity, suggesting L 705589 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, L 705589 has 15 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of L 705589?
The CAS number of L 705589 is 150220-81-8.
What is the molecular formula of L 705589?
The molecular formula of L 705589 is C52H85N9O17.
What is the molecular weight of L 705589?
The molecular weight of L 705589 is 1107.61 g/mol.
Where can I buy L 705589?
You can request a quote for L 705589 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L 705589?
Yes, KEHONG BIO provides custom synthesis services for L 705589 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.