Catheduline E2
TL;DR: Catheduline E2 (CAS 61231-06-9) is a chemical compound with molecular formula C38H40N2O11 and molecular weight 700.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,4S,5R,6S,7R,8R,9S)-4,5-diacetyloxy-7-benzoyloxy-2,10,10-trimethyl-8-(pyridine-3-carbonyloxy)-11-oxatricyclo[7.2.1.01,6]dodecan-6-yl]methyl pyridine-3-carboxylate
Also Known As: Catheduline E2, J2.771.374B, [(1S,2R,4S,5R,6S,7R,8R,9S)-4,5-diacetyloxy-7-benzoyloxy-2,10,10-trimethyl-8-(pyridine-3-carbonyloxy)-11-oxatricyclo[7.2.1.01,6]dodecan-6-yl]methyl pyridine-3-carboxylate, methyl (6S,7R)-6-hydroxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxylate, (3S,4R,5R,5aS,6R,7S,9R,9aS)-6,7-Bis(acetyloxy)-5-(benzoyloxy)-2,2,9-trimethyl-5a-{[(pyridine-3-carbonyl)oxy]methyl}octahydro-2H-3,9a-methano-1-benzoxepin-4-yl pyridine-3-carboxylate
| Molecular Formula | C38H40N2O11 |
|---|---|
| Molecular Weight | 700.26 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 14 |
| Exact Mass | 700.2632 |
| Heavy Atoms | 51 |
| Complexity | 1330.0 |
Chemical Identifiers
| CAS Number | 61231-06-9 |
|---|---|
| SMILES | C[C@@H]1C[C@@H]([C@@H]([C@@]2([C@]13C[C@@H]([C@H]([C@@H]2OC(=O)C4=CC=CC=C4)OC(=O)C5=CN=CC=C5)C(O3)(C)C)COC(=O)C6=CN=CC=C6)OC(=O)C)OC(=O)C |
| InChIKey | JNJVNIAUYUVQJX-VIUWVPTDSA-N |
Product Overview
Catheduline E2 (CAS 61231-06-9), with molecular formula C38H40N2O11 and molecular weight 700.26 g/mol. IUPAC: [(1S,2R,4S,5R,6S,7R,8R,9S)-4,5-diacetyloxy-7-benzoyloxy-2,10,10-trimethyl-8-(pyridine-3-carbonyloxy)-11-oxatricyclo[7.2.1.01,6]dodecan-6-yl]methyl pyridine-3-carboxylate.
Chemical Property Profile of Catheduline E2
Property Insights of Catheduline E2
The XLogP value of 4.3 indicates that Catheduline E2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 167.0 Ų indicates high polarity, suggesting Catheduline E2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Catheduline E2 has 0 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Catheduline E2?
The CAS number of Catheduline E2 is 61231-06-9.
What is the molecular formula of Catheduline E2?
The molecular formula of Catheduline E2 is C38H40N2O11.
What is the molecular weight of Catheduline E2?
The molecular weight of Catheduline E2 is 700.26 g/mol.
Where can I buy Catheduline E2?
You can request a quote for Catheduline E2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Catheduline E2?
Yes, KEHONG BIO provides custom synthesis services for Catheduline E2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.