Cancidas
TL;DR: Cancidas (CAS 179463-17-3) is a chemical compound with molecular formula C56H96N10O19 and molecular weight 1212.69 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetic acid;N-[(3S,6S,9S,11R,15S,18S,20S,21S,25S)-21-(2-aminoethylamino)-3-[(1R)-3-amino-1-hydroxypropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,25-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: Cancidas, Caspofungin acetate, Caspofungin Acetate [USAN], Caspofungin acetate [USAN:BAN:JAN], MK 0991
| Molecular Formula | C56H96N10O19 |
|---|---|
| Molecular Weight | 1212.69 g/mol |
| LogP | -3.1301 |
| Topological Polar Surface Area | 487.0 Ų |
| Hydrogen Bond Donors | 18 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 23 |
| Exact Mass | 1212.6853 |
| Heavy Atoms | 85 |
| Complexity | 1930.0 |
Chemical Identifiers
| CAS Number | 179463-17-3 |
|---|---|
| SMILES | CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H]([C@H](NC(=O)C2[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](CCN)O)O)NCCN)O.CC(=O)O.CC(=O)O |
| InChIKey | OGUJBRYAAJYXQP-CPYUAZPCSA-N |
Product Overview
Cancidas (CAS 179463-17-3), with molecular formula C56H96N10O19 and molecular weight 1212.69 g/mol. IUPAC: acetic acid;N-[(3S,6S,9S,11R,15S,18S,20S,21S,25S)-21-(2-aminoethylamino)-3-[(1R)-3-amino-1-hydroxypropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,25-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 Cancidas
Property Insights of Cancidas
The XLogP value of -3.1301 indicates that Cancidas is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 487.0 Ų indicates high polarity, suggesting Cancidas may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cancidas has 18 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cancidas?
The CAS number of Cancidas is 179463-17-3.
What is the molecular formula of Cancidas?
The molecular formula of Cancidas is C56H96N10O19.
What is the molecular weight of Cancidas?
The molecular weight of Cancidas is 1212.69 g/mol.
Where can I buy Cancidas?
You can request a quote for Cancidas directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cancidas?
Yes, KEHONG BIO provides custom synthesis services for Cancidas and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.