Dolviran
TL;DR: Dolviran (CAS 76741-93-0) is a chemical compound with molecular formula C47H54N7O16P and molecular weight 1003.34 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;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;phosphoric acid;1,3,7-trimethylpurine-2,6-dione
Also Known As: Dolviran, Alnagon, Aspirin mixture with caffeine, codeine phosphate and phenobarbital, Asprin mixture with caffeine, codeine phosphate and phenobarbital, Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5alpha,6alpha)-, phosphate (1:1) (salt), mixt. with 2-(acetyloxy)benzoic acid, 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione and 5-ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
| Molecular Formula | C47H54N7O16P |
|---|---|
| Molecular Weight | 1003.34 g/mol |
| LogP | 1.5537 |
| Topological Polar Surface Area | 320.38 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 5 |
| Exact Mass | 1003.3365 |
| Heavy Atoms | 71 |
| Complexity | 3061.2358 |
Chemical Identifiers
| CAS Number | 76741-93-0 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2.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.OP(=O)(O)O |
Product Overview
Dolviran (CAS 76741-93-0), with molecular formula C47H54N7O16P and molecular weight 1003.34 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;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;phosphoric acid;1,3,7-trimethylpurine-2,6-dione.
Chemical Property Profile of Dolviran
Property Insights of Dolviran
The XLogP value of 1.5537 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dolviran. The TPSA of 320.38 Ų indicates high polarity, suggesting Dolviran may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dolviran has 7 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dolviran?
The CAS number of Dolviran is 76741-93-0.
What is the molecular formula of Dolviran?
The molecular formula of Dolviran is C47H54N7O16P.
What is the molecular weight of Dolviran?
The molecular weight of Dolviran is 1003.34 g/mol.
Where can I buy Dolviran?
You can request a quote for Dolviran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dolviran?
Yes, KEHONG BIO provides custom synthesis services for Dolviran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.