Perdolan
TL;DR: Perdolan (CAS 102578-49-4) is a chemical compound with molecular formula C56H72Br2N10O19P-3 and molecular weight 1377.31 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;2-acetyloxybenzoic acid;2-bromo-N-carbamoyl-2-ethylbutanamide;2-bromo-N-carbamoyl-3-methylbutanamide;N-(4-hydroxyphenyl)acetamide;1,3,7-trimethylpurine-2,6-dione;phosphate
Also Known As: Perdolan, Acetaminophen mixture with aspirin, bromisoval, caffeine, carbromal and codeine phosphate, (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;2-acetyloxybenzoic acid;2-bromo-N-carbamoyl-2-ethylbutanamide;2-bromo-N-carbamoyl-3-methylbutanamide;N-(4-hydroxyphenyl)acetamide;1,3,7-trimethylpurine-2,6-dione;phosphate, (4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ol,2-acetyloxybenzoic acid,2-bromo-N-carbamoyl-2-ethylbutanamide,2-bromo-N-carbamoyl-3-methylbutanamide,N-(4-hydroxyphenyl)acetamide,1,3,7-trime
| Molecular Formula | C56H72Br2N10O19P-3 |
|---|---|
| Molecular Weight | 1377.31 g/mol |
| LogP | 2.0437 |
| Topological Polar Surface Area | 447.31 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 9 |
| Exact Mass | 1377.308 |
| Heavy Atoms | 88 |
| Complexity | 3521.1418 |
Chemical Identifiers
| CAS Number | 102578-49-4 |
|---|---|
| SMILES | CCC(CC)(C(=O)NC(=O)N)Br.CC(C)C(C(=O)NC(=O)N)Br.CC(=O)NC1=CC=C(C=C1)O.CC(=O)OC1=CC=CC=C1C(=O)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.CN1C=NC2=C1C(=O)N(C(=O)N2C)C.[O-]P(=O)([O-])[O-] |
Product Overview
Perdolan (CAS 102578-49-4), with molecular formula C56H72Br2N10O19P-3 and molecular weight 1377.31 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;2-acetyloxybenzoic acid;2-bromo-N-carbamoyl-2-ethylbutanamide;2-bromo-N-carbamoyl-3-methylbutanamide;N-(4-hydroxyphenyl)acetamide;1,3,7-trimethylpurine-2,6-dione;phosphate.
Chemical Property Profile of Perdolan
Property Insights of Perdolan
The XLogP value of 2.0437 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Perdolan. The TPSA of 447.31 Ų indicates high polarity, suggesting Perdolan may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Perdolan has 8 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Perdolan?
The CAS number of Perdolan is 102578-49-4.
What is the molecular formula of Perdolan?
The molecular formula of Perdolan is C56H72Br2N10O19P-3.
What is the molecular weight of Perdolan?
The molecular weight of Perdolan is 1377.31 g/mol.
Where can I buy Perdolan?
You can request a quote for Perdolan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Perdolan?
Yes, KEHONG BIO provides custom synthesis services for Perdolan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.