Catharine
TL;DR: Catharine (CAS 1355-31-3) is a chemical compound with molecular formula C46H54N4O10 and molecular weight 822.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(2S)-6-ethyl-8-formyl-2-methoxycarbonyl-4-oxo-8,18-diazatricyclo[9.7.0.012,17]octadeca-1(11),6,12,14,16-pentaen-2-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
Also Known As: Catharine
| Molecular Formula | C46H54N4O10 |
|---|---|
| Molecular Weight | 822.38 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 168.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 822.384 |
| Heavy Atoms | 60 |
| Complexity | 1790.0 |
Chemical Identifiers
| CAS Number | 1355-31-3 |
|---|---|
| SMILES | CCC1=CN(CCC2=C([C@](CC(=O)C1)(C3=C(C=C4C(=C3)[C@]56CCN7[C@H]5[C@@](C=CC7)([C@H]([C@@]([C@@H]6N4C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)NC8=CC=CC=C28)C=O |
| InChIKey | KLFYPJRLOIHTCM-KOYPTHASSA-N |
Product Overview
Catharine (CAS 1355-31-3), with molecular formula C46H54N4O10 and molecular weight 822.38 g/mol. IUPAC: methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(2S)-6-ethyl-8-formyl-2-methoxycarbonyl-4-oxo-8,18-diazatricyclo[9.7.0.012,17]octadeca-1(11),6,12,14,16-pentaen-2-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate.
Chemical Property Profile of Catharine
Property Insights of Catharine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Catharine. The TPSA of 168.0 Ų indicates high polarity, suggesting Catharine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Catharine has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Catharine?
The CAS number of Catharine is 1355-31-3.
What is the molecular formula of Catharine?
The molecular formula of Catharine is C46H54N4O10.
What is the molecular weight of Catharine?
The molecular weight of Catharine is 822.38 g/mol.
Where can I buy Catharine?
You can request a quote for Catharine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Catharine?
Yes, KEHONG BIO provides custom synthesis services for Catharine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.