氰基地昔帕明
TL;DR: 氰基地昔帕明 (CAS 5431-04-9) is a chemical compound with molecular formula C19H22ClN3 and molecular weight 327.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氰基地昔帕明
11-[3-(methylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepine-2-carbonitrile;hydrochloride
Also Known As: Cyan-desipramine, Desmethylcianopramine, Ro 12-5419, 5H-Dibenz(b,f)azepine-3-carbonitrile, 10,11-dihydro-5-(3-(methylamino)propyl)-, monohydrochloride, 11-[3-(methylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepine-2-carbonitrile;hydrochloride
| Molecular Formula | C19H22ClN3 |
|---|---|
| Molecular Weight | 327.15 g/mol |
| LogP | 3.82628 |
| Topological Polar Surface Area | 39.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.15024 |
| Heavy Atoms | 23 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 5431-04-9 |
|---|---|
| SMILES | CNCCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)C#N.Cl |
| InChIKey | LVNGPHKXMPVAOF-UHFFFAOYSA-N |
Product Overview
氰基地昔帕明 (CAS 5431-04-9), with molecular formula C19H22ClN3 and molecular weight 327.15 g/mol. IUPAC: 11-[3-(methylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepine-2-carbonitrile;hydrochloride.
Chemical Property Profile of 氰基地昔帕明
Property Insights of 氰基地昔帕明
The XLogP value of 3.82628 indicates that 氰基地昔帕明 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.1 Ų, 氰基地昔帕明 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氰基地昔帕明 has 2 hydrogen bond donor(s) and 3 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 氰基地昔帕明?
The CAS number of 氰基地昔帕明 is 5431-04-9.
What is the molecular formula of 氰基地昔帕明?
The molecular formula of 氰基地昔帕明 is C19H22ClN3.
What is the molecular weight of 氰基地昔帕明?
The molecular weight of 氰基地昔帕明 is 327.15 g/mol.
Where can I buy 氰基地昔帕明?
You can request a quote for 氰基地昔帕明 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氰基地昔帕明?
Yes, KEHONG BIO provides custom synthesis services for 氰基地昔帕明 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.