Catheduline 4
TL;DR: Catheduline 4 (CAS 61230-20-4) is a chemical compound with molecular formula C52H58N2O22 and molecular weight 1062.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(24,25-diacetyloxy-6,44-dihydroxy-39,42-dimethoxy-9,19,20,44-tetramethyl-2,12,21,29-tetraoxo-3,8,11,22,28,37-hexaoxa-17,32-diazaoctacyclo[36.2.2.14,26.17,23.05,9.07,26.013,18.030,35]tetratetraconta-1(40),13(18),14,16,30(35),31,33,38,41-nonaen-43-yl) 2-acetyloxy-2-methylpropanoate
Also Known As: Catheduline 4, Cathedulin 4, Catheduline E 4, J1.932.262I, 2-Acetoxy-2-methylpropionic acid 34,35-diacetoxy-5,7,8,9,10,18,23,28,29,31,32,33-dodecahydro-28,36-dihydroxy-15,39-dimethoxy-8,28,32,33-tetramethyl-5,12,23,31-tetraoxo-8,27-epoxy-26,29-ethano-13,16-etheno-9,27:10,26-dimethano-12H,25H-[1,6,12,17,23]pentaoxacyclononacosino[27,28-b:15,14-c ]dipyridine-38-yl ester
| Molecular Formula | C52H58N2O22 |
|---|---|
| Molecular Weight | 1062.35 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 314.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 11 |
| Exact Mass | 1062.3481 |
| Heavy Atoms | 76 |
| Complexity | 2270.0 |
Chemical Identifiers
| CAS Number | 61230-20-4 |
|---|---|
| SMILES | CC1C(C(=O)OC2C(C(C34COC(=O)C5=C(COC6=C(C=C(C=C6OC)C(=O)OC(C3OC(=O)C(C)(C)OC(=O)C)C7C(C4(C2(C)O)OC7(COC(=O)C8=C1N=CC=C8)C)O)OC)C=CN=C5)OC(=O)C)OC(=O)C)C |
| InChIKey | LBMHRPAJRWOOPW-UHFFFAOYSA-N |
Product Overview
Catheduline 4 (CAS 61230-20-4), with molecular formula C52H58N2O22 and molecular weight 1062.35 g/mol. IUPAC: (24,25-diacetyloxy-6,44-dihydroxy-39,42-dimethoxy-9,19,20,44-tetramethyl-2,12,21,29-tetraoxo-3,8,11,22,28,37-hexaoxa-17,32-diazaoctacyclo[36.2.2.14,26.17,23.05,9.07,26.013,18.030,35]tetratetraconta-1(40),13(18),14,16,30(35),31,33,38,41-nonaen-43-yl) 2-acetyloxy-2-methylpropanoate.
Chemical Property Profile of Catheduline 4
Property Insights of Catheduline 4
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Catheduline 4. The TPSA of 314.0 Ų indicates high polarity, suggesting Catheduline 4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Catheduline 4 has 2 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Catheduline 4?
The CAS number of Catheduline 4 is 61230-20-4.
What is the molecular formula of Catheduline 4?
The molecular formula of Catheduline 4 is C52H58N2O22.
What is the molecular weight of Catheduline 4?
The molecular weight of Catheduline 4 is 1062.35 g/mol.
Where can I buy Catheduline 4?
You can request a quote for Catheduline 4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Catheduline 4?
Yes, KEHONG BIO provides custom synthesis services for Catheduline 4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.