Hexapneumine
TL;DR: Hexapneumine (CAS 118573-57-2) is a chemical compound with molecular formula C74H93Cl3N4O14 and molecular weight 1366.58 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,4aR,7S,7aR,12bS)-3-methyl-9-(2-morpholin-4-ylethoxy)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(Z)-but-2-enedioic acid;4-chloro-2-[(5-chloro-2-hydroxy-6-methyl-3-propan-2-ylphenyl)methyl]-3-methyl-6-propan-2-ylphenol;3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;3-(2-methoxyphenoxy)propane-1,2-diol
Also Known As: Hexapneumine, (4R,4aR,7S,7aR,12bS)-3-methyl-9-(2-morpholin-4-ylethoxy)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(Z)-but-2-enedioic acid;4-chloro-2-[(5-chloro-2-hydroxy-6-methyl-3-propan-2-ylphenyl)methyl]-3-methyl-6-propan-2-ylphenol;3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;3-(2-methoxyphenoxy)propane-1,2-diol, Biclotymol mixture with chlorpheniramine maleate, glyceryl guaiacolate and pholcodine, Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-17-methyl-3-(2-(4-morpholinyl)ethoxy)-, (5alpha,6alpha)-, mixt. with gamma-(4-chlorophenyl)-N,N-dimethyl-2-pyridinepropanamine (Z)-2-butenedioate (1:1), 3-(2-methoxyphenoxy)-1,2-propanediol and 2,2'-methylenebis(4-chloro-3-methyl-6-(1-methylethyl)phenol)
| Molecular Formula | C74H93Cl3N4O14 |
|---|---|
| Molecular Weight | 1366.58 g/mol |
| LogP | 12.02014 |
| Topological Polar Surface Area | 244.51 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 20 |
| Exact Mass | 1366.5754 |
| Heavy Atoms | 95 |
| Complexity | 3483.3792 |
Chemical Identifiers
| CAS Number | 118573-57-2 |
|---|---|
| SMILES | CC1=C(C=C(C(=C1CC2=C(C(=CC(=C2C)Cl)C(C)C)O)O)C(C)C)Cl.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OCCN6CCOCC6)O[C@H]3[C@H](C=C4)O.CN(C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2.COC1=CC=CC=C1OCC(CO)O.C(=C\C(=O)O)\C(=O)O |
Product Overview
Hexapneumine (CAS 118573-57-2), with molecular formula C74H93Cl3N4O14 and molecular weight 1366.58 g/mol. IUPAC: (4R,4aR,7S,7aR,12bS)-3-methyl-9-(2-morpholin-4-ylethoxy)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(Z)-but-2-enedioic acid;4-chloro-2-[(5-chloro-2-hydroxy-6-methyl-3-propan-2-ylphenyl)methyl]-3-methyl-6-propan-2-ylphenol;3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;3-(2-methoxyphenoxy)propane-1,2-diol.
Chemical Property Profile of Hexapneumine
Property Insights of Hexapneumine
The XLogP value of 12.02014 indicates that Hexapneumine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 244.51 Ų indicates high polarity, suggesting Hexapneumine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hexapneumine has 7 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexapneumine?
The CAS number of Hexapneumine is 118573-57-2.
What is the molecular formula of Hexapneumine?
The molecular formula of Hexapneumine is C74H93Cl3N4O14.
What is the molecular weight of Hexapneumine?
The molecular weight of Hexapneumine is 1366.58 g/mol.
Where can I buy Hexapneumine?
You can request a quote for Hexapneumine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexapneumine?
Yes, KEHONG BIO provides custom synthesis services for Hexapneumine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.