RefChem:237236
TL;DR: RefChem:237236 (CAS 77796-06-6) is a chemical compound with molecular formula C23H31Cl2F2N3 and molecular weight 457.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-fluoro-5-(4-fluorophenyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]-2,3,4,5-tetrahydro-1-benzazepine;dihydrochloride
Also Known As: 1H-1-Benzazepine, 2,3,4,5-tetrahydro-8-fluoro-5-(4-fluorophenyl)-1-(2-(4-methyl-1-piperazinyl)ethyl)-, dihydrochloride, 8-fluoro-5-(4-fluorophenyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]-2,3,4,5-tetrahydro-1-benzazepine dihydrochloride, 1H-1-BENZAZEPINE, 2,3,4,5-TETRAHYDRO-8-FLUORO-5-(4-FLUOROPHENYL)-1-(2-(4-METHYL-, 8-Fluoro-5-(4-fluorophenyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]-2,3,4,5-tetrahydro-1H-1-benzazepine--hydrogen chloride (1/2), RefChem:237236
| Molecular Formula | C23H31Cl2F2N3 |
|---|---|
| Molecular Weight | 457.19 g/mol |
| LogP | 4.79 |
| Topological Polar Surface Area | 9.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 457.1863 |
| Heavy Atoms | 30 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 77796-06-6 |
|---|---|
| SMILES | CN1CCN(CC1)CCN2CCCC(C3=C2C=C(C=C3)F)C4=CC=C(C=C4)F.Cl.Cl |
| InChIKey | JRCVHYZFJZMHRU-UHFFFAOYSA-N |
Product Overview
RefChem:237236 (CAS 77796-06-6), with molecular formula C23H31Cl2F2N3 and molecular weight 457.19 g/mol. IUPAC: 8-fluoro-5-(4-fluorophenyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]-2,3,4,5-tetrahydro-1-benzazepine;dihydrochloride.
Chemical Property Profile of RefChem:237236
Property Insights of RefChem:237236
The XLogP value of 4.79 indicates that RefChem:237236 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.7 Ų, RefChem:237236 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:237236 has 2 hydrogen bond donor(s) and 5 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 RefChem:237236?
The CAS number of RefChem:237236 is 77796-06-6.
What is the molecular formula of RefChem:237236?
The molecular formula of RefChem:237236 is C23H31Cl2F2N3.
What is the molecular weight of RefChem:237236?
The molecular weight of RefChem:237236 is 457.19 g/mol.
Where can I buy RefChem:237236?
You can request a quote for RefChem:237236 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:237236?
Yes, KEHONG BIO provides custom synthesis services for RefChem:237236 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.