Sinequan
TL;DR: Sinequan (CAS 3607-34-9) is a chemical compound with molecular formula C19H21NO and molecular weight 279.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine
Also Known As: doxepin, Doxepine, trans-doxepin, (e)-doxepin, Doxepinum
| Molecular Formula | C19H21NO |
|---|---|
| Molecular Weight | 279.16 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.16232 |
| Heavy Atoms | 21 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 3607-34-9 |
|---|---|
| SMILES | CN(C)CC/C=C/1\C2=CC=CC=C2COC3=CC=CC=C31 |
| InChIKey | ODQWQRRAPPTVAG-GZTJUZNOSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sinequan (CAS 3607-34-9), with molecular formula C19H21NO and molecular weight 279.16 g/mol. IUPAC: (3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine.
Chemical Property Profile of Sinequan
Property Insights of Sinequan
The XLogP value of 4.3 indicates that Sinequan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, Sinequan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sinequan has 0 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 Sinequan?
The CAS number of Sinequan is 3607-34-9.
What is the molecular formula of Sinequan?
The molecular formula of Sinequan is C19H21NO.
What is the molecular weight of Sinequan?
The molecular weight of Sinequan is 279.16 g/mol.
Where can I buy Sinequan?
You can request a quote for Sinequan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sinequan?
Yes, KEHONG BIO provides custom synthesis services for Sinequan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.