多塞平
TL;DR: 多塞平 (CAS 1668-19-5) 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.
多塞平
3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine
Also Known As: doxepin, Doxepine, Doxepina, Sinequan, 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 |
| Melting Point | 185-191 ºC |
| Boiling Point | 154-157 ºC at 0.03 mmHg |
| Solubility | 31.6 |
Chemical Identifiers
| CAS Number | 1668-19-5 |
|---|---|
| SMILES | CN(C)CCC=C1C2=CC=CC=C2COC3=CC=CC=C31 |
| InChIKey | ODQWQRRAPPTVAG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
多塞平 (CAS 1668-19-5), with molecular formula C19H21NO and molecular weight 279.16 g/mol. IUPAC: 3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine.
Chemical Property Profile of 多塞平
Property Insights of 多塞平
The XLogP value of 4.3 indicates that 多塞平 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, 多塞平 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 多塞平 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 多塞平?
The CAS number of 多塞平 is 1668-19-5.
What is the molecular formula of 多塞平?
The molecular formula of 多塞平 is C19H21NO.
What is the molecular weight of 多塞平?
The molecular weight of 多塞平 is 279.16 g/mol.
Where can I buy 多塞平?
You can request a quote for 多塞平 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 多塞平?
Yes, KEHONG BIO provides custom synthesis services for 多塞平 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.