RefChem:237231
TL;DR: RefChem:237231 (CAS 77796-04-4) is a chemical compound with molecular formula C24H31Cl2F2N3O2 and molecular weight 501.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone;dihydrochloride
Also Known As: C24H29F2N3O2.2ClH.1/2H2O, 1H-1-Benzazepine, 2,3,4,5-tetrahydro-8-fluoro-5-(4-fluorophenyl)-1-((4-(2-hydroxyethyl)-1-piperazinyl)acetyl)-, hydrochloride, hydrate (2:4:1), C24-H29-F2-N3-O2.2Cl-H.1/2H2-O, 1-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone dihydrochloride, 1-[8-Fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethan-1-one--hydrogen chloride (1/2)
| Molecular Formula | C24H31Cl2F2N3O2 |
|---|---|
| Molecular Weight | 501.18 g/mol |
| LogP | 3.68 |
| Topological Polar Surface Area | 47.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 501.17615 |
| Heavy Atoms | 33 |
| Complexity | 579.0 |
Chemical Identifiers
| CAS Number | 77796-04-4 |
|---|---|
| SMILES | C1CC(C2=C(C=C(C=C2)F)N(C1)C(=O)CN3CCN(CC3)CCO)C4=CC=C(C=C4)F.Cl.Cl |
| InChIKey | OCAPHIGEAXDVPU-UHFFFAOYSA-N |
Product Overview
RefChem:237231 (CAS 77796-04-4), with molecular formula C24H31Cl2F2N3O2 and molecular weight 501.18 g/mol. IUPAC: 1-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone;dihydrochloride.
Chemical Property Profile of RefChem:237231
Property Insights of RefChem:237231
The XLogP value of 3.68 indicates that RefChem:237231 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.0 Ų, RefChem:237231 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:237231 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:237231?
The CAS number of RefChem:237231 is 77796-04-4.
What is the molecular formula of RefChem:237231?
The molecular formula of RefChem:237231 is C24H31Cl2F2N3O2.
What is the molecular weight of RefChem:237231?
The molecular weight of RefChem:237231 is 501.18 g/mol.
Where can I buy RefChem:237231?
You can request a quote for RefChem:237231 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:237231?
Yes, KEHONG BIO provides custom synthesis services for RefChem:237231 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.