Doxepin Hydrochloride
TL;DR: Doxepin Hydrochloride (CAS 1229-29-4) is a chemical compound with molecular formula C19H22ClNO and molecular weight 315.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride
Also Known As: Doxepin Hydrochloride, Doxepin HCl, Sinequan, doxepin, Novoxapin
| Molecular Formula | C19H22ClNO |
|---|---|
| Molecular Weight | 315.14 g/mol |
| LogP | 4.38 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.13898 |
| Heavy Atoms | 22 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 1229-29-4 |
|---|---|
| SMILES | CN(C)CCC=C1C2=CC=CC=C2COC3=CC=CC=C31.Cl |
| InChIKey | MHNSPTUQQIYJOT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Doxepin Hydrochloride (CAS 1229-29-4), with molecular formula C19H22ClNO and molecular weight 315.14 g/mol. IUPAC: 3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride.
Chemical Property Profile of Doxepin Hydrochloride
Property Insights of Doxepin Hydrochloride
The XLogP value of 4.38 indicates that Doxepin Hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, Doxepin Hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Doxepin Hydrochloride has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Doxepin Hydrochloride?
The CAS number of Doxepin Hydrochloride is 1229-29-4.
What is the molecular formula of Doxepin Hydrochloride?
The molecular formula of Doxepin Hydrochloride is C19H22ClNO.
What is the molecular weight of Doxepin Hydrochloride?
The molecular weight of Doxepin Hydrochloride is 315.14 g/mol.
Where can I buy Doxepin Hydrochloride?
You can request a quote for Doxepin Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Doxepin Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Doxepin Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.