RefChem:237230
TL;DR: RefChem:237230 (CAS 77796-05-5) is a chemical compound with molecular formula C27H35Cl2F2N3O3 and molecular weight 557.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[2-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-oxoethyl]piperazin-1-yl]ethyl propanoate;dihydrochloride
Also Known As: 1H-1-Benzazepine, 2,3,4,5-tetrahydro-8-fluoro-5-(4-fluorophenyl)-1-((4-(2-(1-oxopropoxy)ethyl)-1-piperazinyl)acetyl)-, dihydrochloride, 2-[4-[2-[8-Fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-oxoethyl]piperazin-1-yl]ethylpropanoate dihydrochloride, 1H-1-BENZAZEPINE, 2,3,4,5-TETRAHYDRO-8-FLUORO-5-(4-FLUOROPHENYL)-1-((4-(2-(1-OXO, 2-(4-{2-[8-Fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]-2-oxoethyl}piperazin-1-yl)ethyl propanoate--hydrogen chloride (1/2), 2-[4-[2-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-oxoethyl]piperazin-1-yl]ethyl propanoate dihydrochloride
| Molecular Formula | C27H35Cl2F2N3O3 |
|---|---|
| Molecular Weight | 557.20 g/mol |
| LogP | 4.64 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 557.20233 |
| Heavy Atoms | 37 |
| Complexity | 695.0 |
Chemical Identifiers
| CAS Number | 77796-05-5 |
|---|---|
| SMILES | CCC(=O)OCCN1CCN(CC1)CC(=O)N2CCCC(C3=C2C=C(C=C3)F)C4=CC=C(C=C4)F.Cl.Cl |
| InChIKey | FNMWGXYUFKOZRQ-UHFFFAOYSA-N |
Product Overview
RefChem:237230 (CAS 77796-05-5), with molecular formula C27H35Cl2F2N3O3 and molecular weight 557.20 g/mol. IUPAC: 2-[4-[2-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-oxoethyl]piperazin-1-yl]ethyl propanoate;dihydrochloride.
Chemical Property Profile of RefChem:237230
Property Insights of RefChem:237230
The XLogP value of 4.64 indicates that RefChem:237230 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.1 Ų, RefChem:237230 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:237230 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:237230?
The CAS number of RefChem:237230 is 77796-05-5.
What is the molecular formula of RefChem:237230?
The molecular formula of RefChem:237230 is C27H35Cl2F2N3O3.
What is the molecular weight of RefChem:237230?
The molecular weight of RefChem:237230 is 557.20 g/mol.
Where can I buy RefChem:237230?
You can request a quote for RefChem:237230 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:237230?
Yes, KEHONG BIO provides custom synthesis services for RefChem:237230 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.