RefChem:268358
TL;DR: RefChem:268358 (CAS 81816-74-2) is a chemical compound with molecular formula C23H28N2O4 and molecular weight 396.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-(2-methoxyphenyl)piperazin-1-yl]-3,4-dihydro-2H-chromene-6-carboxylate
Also Known As: Ethyl 3,4-dihydro-4-(4-(2-methoxyphenyl)-1-piperazinyl)-2H-1-benzopyran-6-carboxylate, 2H-1-Benzopyran-6-carboxylic acid, 3,4-dihydro-4-(4-(2-methoxyphenyl)-1-piperazinyl)-, ethyl ester, Ethyl 4-[4-(2-methoxyphenyl)piperazin-1-yl]-3,4-dihydro-2H-1-benzopyran-6-carboxylate, ethyl 4-[4-(2-methoxyphenyl)piperazin-1-yl]-3,4-dihydro-2H-chromene-6-carboxylate, BRN 4597119
| Molecular Formula | C23H28N2O4 |
|---|---|
| Molecular Weight | 396.20 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.2049 |
| Heavy Atoms | 29 |
| Complexity | 537.0 |
Chemical Identifiers
| CAS Number | 81816-74-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(C=C1)OCCC2N3CCN(CC3)C4=CC=CC=C4OC |
| InChIKey | FCVCXVOBITXSOQ-UHFFFAOYSA-N |
Product Overview
RefChem:268358 (CAS 81816-74-2), with molecular formula C23H28N2O4 and molecular weight 396.20 g/mol. IUPAC: ethyl 4-[4-(2-methoxyphenyl)piperazin-1-yl]-3,4-dihydro-2H-chromene-6-carboxylate.
Chemical Property Profile of RefChem:268358
Property Insights of RefChem:268358
The XLogP value of 3.7 indicates that RefChem:268358 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.2 Ų, RefChem:268358 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:268358 has 0 hydrogen bond donor(s) and 6 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:268358?
The CAS number of RefChem:268358 is 81816-74-2.
What is the molecular formula of RefChem:268358?
The molecular formula of RefChem:268358 is C23H28N2O4.
What is the molecular weight of RefChem:268358?
The molecular weight of RefChem:268358 is 396.20 g/mol.
Where can I buy RefChem:268358?
You can request a quote for RefChem:268358 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:268358?
Yes, KEHONG BIO provides custom synthesis services for RefChem:268358 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.