Ircodin
TL;DR: Ircodin (CAS 65651-05-0) is a chemical compound with molecular formula C63H76N8O9 and molecular weight 1088.57 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;4-butyl-1,2-diphenylpyrazolidine-3,5-dione;5-(cyclohepten-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trione;4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: Ircodin, Phenylbutazone, aminopyrine, heptabarbital combined with codeine, RefChem:349478
| Molecular Formula | C63H76N8O9 |
|---|---|
| Molecular Weight | 1088.57 g/mol |
| LogP | 8.47862 |
| Topological Polar Surface Area | 187.99 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 1088.5735 |
| Heavy Atoms | 80 |
| Complexity | 3148.2876 |
Chemical Identifiers
| CAS Number | 65651-05-0 |
|---|---|
| SMILES | CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3.CCC1(C(=O)NC(=O)NC1=O)C2=CCCCCC2.CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O |
Product Overview
Ircodin (CAS 65651-05-0), with molecular formula C63H76N8O9 and molecular weight 1088.57 g/mol. IUPAC: (4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;4-butyl-1,2-diphenylpyrazolidine-3,5-dione;5-(cyclohepten-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trione;4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of Ircodin
Property Insights of Ircodin
The XLogP value of 8.47862 indicates that Ircodin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 187.99 Ų indicates high polarity, suggesting Ircodin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ircodin has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ircodin?
The CAS number of Ircodin is 65651-05-0.
What is the molecular formula of Ircodin?
The molecular formula of Ircodin is C63H76N8O9.
What is the molecular weight of Ircodin?
The molecular weight of Ircodin is 1088.57 g/mol.
Where can I buy Ircodin?
You can request a quote for Ircodin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ircodin?
Yes, KEHONG BIO provides custom synthesis services for Ircodin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.