Propain
TL;DR: Propain (CAS 138230-30-5) is a chemical compound with molecular formula C51H65ClN7O12P and molecular weight 1033.41 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-benzhydryloxy-N,N-dimethylethanamine;N-(4-hydroxyphenyl)acetamide;phosphoric acid;1,3,7-trimethylpurine-2,6-dione;hydrochloride
Also Known As: Propain, SID:134222715, Acetaminophen mixture with caffeine, codeine phosphate and diphenhydramine, Acetaminophen-caffeine-codeine phosphate-diphenhydramine hydrochloride mixt,, Codeine phosphate - paracetamol - diphenhydramine hydrochloride - caffeine mixt.
| Molecular Formula | C51H65ClN7O12P |
|---|---|
| Molecular Weight | 1033.41 g/mol |
| LogP | 4.6698 |
| Topological Polar Surface Area | 243.31 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 1033.4117 |
| Heavy Atoms | 72 |
| Complexity | 2916.6199 |
Chemical Identifiers
| CAS Number | 138230-30-5 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)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.CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2.OP(=O)(O)O.Cl |
Product Overview
Propain (CAS 138230-30-5), with molecular formula C51H65ClN7O12P and molecular weight 1033.41 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-benzhydryloxy-N,N-dimethylethanamine;N-(4-hydroxyphenyl)acetamide;phosphoric acid;1,3,7-trimethylpurine-2,6-dione;hydrochloride.
Chemical Property Profile of Propain
Property Insights of Propain
The XLogP value of 4.6698 indicates that Propain is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 243.31 Ų indicates high polarity, suggesting Propain may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Propain has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Propain?
The CAS number of Propain is 138230-30-5.
What is the molecular formula of Propain?
The molecular formula of Propain is C51H65ClN7O12P.
What is the molecular weight of Propain?
The molecular weight of Propain is 1033.41 g/mol.
Where can I buy Propain?
You can request a quote for Propain directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propain?
Yes, KEHONG BIO provides custom synthesis services for Propain and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.