Doxepin pamoate
TL;DR: Doxepin pamoate (CAS 151955-27-0) is a chemical compound with molecular formula C61H58N2O8 and molecular weight 946.4193 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis((3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine);4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid
Also Known As: Doxepin pamoate, (3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine; 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid, 2-Naphthalenecarboxylic acid, 4,4'-methylenebis(3-hydroxy-, compd. with 3-dibenz(b,e)oxepin-11(6H)-ylidene-N,N-dimethyl-1-propanamine (1:2)
Technical Specifications
| Molecular Formula | C61H58N2O8 |
| Molecular Weight | 946.4193 g/mol |
| XLogP | 12.3162 |
| Topological Polar Surface Area (TPSA) | 140.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 946.4193 Da |
| Heavy Atoms | 71 |
| Complexity | 931.0 |
| SMILES | CN(CC/C=C\1/C2=CC=CC=C2OCC3=CC=CC=C13)C.CN(CC/C=C\1/C2=CC=CC=C2OCC3=CC=CC=C13)C.C1=CC=C2C(=C(C(=CC2=C1)C(=O)O)O)CC3=C(C(=CC4=CC=CC=C34)C(=O)O)O |
| InChIKey | FNPCCWKLUMHENC-LEKJNYAPSA-N |
Chemical Property Profile of Doxepin pamoate
Property Insights of Doxepin pamoate
The XLogP value of 12.3162 indicates that Doxepin pamoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.0 Ų indicates high polarity, suggesting Doxepin pamoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Doxepin pamoate has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Doxepin pamoate?
The CAS number of Doxepin pamoate is 151955-27-0.
What is the molecular formula of Doxepin pamoate?
The molecular formula of Doxepin pamoate is C61H58N2O8.
What is the molecular weight of Doxepin pamoate?
The molecular weight of Doxepin pamoate is 946.4193 g/mol.
Where can I buy Doxepin pamoate?
You can request a quote for Doxepin pamoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Doxepin pamoate?
Yes, CoreyChem provides custom synthesis services for Doxepin pamoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.