卡匹帕明二盐酸盐无水物
TL;DR: 卡匹帕明二盐酸盐无水物 (CAS 60452-13-3) is a chemical compound with molecular formula C28H42Cl2N4O2 and molecular weight 536.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
卡匹帕明二盐酸盐无水物
1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide;hydrate;dihydrochloride
Also Known As: Defekton, Carpipramine dihydrochloride, Prazinil, Defecton, Carpipramine hydrochloride
| Molecular Formula | C28H42Cl2N4O2 |
|---|---|
| Molecular Weight | 536.27 g/mol |
| LogP | 4.14 |
| Topological Polar Surface Area | 53.8 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 536.2685 |
| Heavy Atoms | 36 |
| Complexity | 616.0 |
Chemical Identifiers
| CAS Number | 60452-13-3 |
|---|---|
| SMILES | C1CCN(CC1)C2(CCN(CC2)CCCN3C4=CC=CC=C4CCC5=CC=CC=C53)C(=O)N.O.Cl.Cl |
| InChIKey | DQZZUZZSEFHBSL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
卡匹帕明二盐酸盐无水物 (CAS 60452-13-3), with molecular formula C28H42Cl2N4O2 and molecular weight 536.27 g/mol. IUPAC: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide;hydrate;dihydrochloride.
Chemical Property Profile of 卡匹帕明二盐酸盐无水物
Property Insights of 卡匹帕明二盐酸盐无水物
The XLogP value of 4.14 indicates that 卡匹帕明二盐酸盐无水物 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.8 Ų, 卡匹帕明二盐酸盐无水物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 卡匹帕明二盐酸盐无水物 has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 卡匹帕明二盐酸盐无水物?
The CAS number of 卡匹帕明二盐酸盐无水物 is 60452-13-3.
What is the molecular formula of 卡匹帕明二盐酸盐无水物?
The molecular formula of 卡匹帕明二盐酸盐无水物 is C28H42Cl2N4O2.
What is the molecular weight of 卡匹帕明二盐酸盐无水物?
The molecular weight of 卡匹帕明二盐酸盐无水物 is 536.27 g/mol.
Where can I buy 卡匹帕明二盐酸盐无水物?
You can request a quote for 卡匹帕明二盐酸盐无水物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 卡匹帕明二盐酸盐无水物?
Yes, KEHONG BIO provides custom synthesis services for 卡匹帕明二盐酸盐无水物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.