RefChem:301228
TL;DR: RefChem:301228 (CAS 74229-23-5) is a chemical compound with molecular formula C31H37N3O3 and molecular weight 499.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-4-(piperidin-1-ylmethyl)-1-benzofuran-5-ol;hydrate
Also Known As: C31H35N3O2.1/2H2O, 5-Benzofuranol, 3-phenyl-2-((4-phenyl-1-piperazinyl)methyl)-4-piperidinomethyl-, hemihydrate, C31-H35-N3-O2.1/2H2-O, 5-Hydroxy-3-phenyl-2-(N-phenylpiperazinomethyl)-4-piperidinomethylbenzofuran hemihydrate, 3-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-4-(piperidin-1-ylmethyl)-1-benzofuran-5-ol hydrate
| Molecular Formula | C31H37N3O3 |
|---|---|
| Molecular Weight | 499.28 g/mol |
| LogP | 5.29 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 499.28348 |
| Heavy Atoms | 37 |
| Complexity | 665.0 |
Chemical Identifiers
| CAS Number | 74229-23-5 |
|---|---|
| SMILES | C1CCN(CC1)CC2=C(C=CC3=C2C(=C(O3)CN4CCN(CC4)C5=CC=CC=C5)C6=CC=CC=C6)O.O |
| InChIKey | MRCTYZMQEDTVBP-UHFFFAOYSA-N |
Product Overview
RefChem:301228 (CAS 74229-23-5), with molecular formula C31H37N3O3 and molecular weight 499.28 g/mol. IUPAC: 3-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-4-(piperidin-1-ylmethyl)-1-benzofuran-5-ol;hydrate.
Chemical Property Profile of RefChem:301228
Property Insights of RefChem:301228
The XLogP value of 5.29 indicates that RefChem:301228 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, RefChem:301228 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:301228 has 2 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:301228?
The CAS number of RefChem:301228 is 74229-23-5.
What is the molecular formula of RefChem:301228?
The molecular formula of RefChem:301228 is C31H37N3O3.
What is the molecular weight of RefChem:301228?
The molecular weight of RefChem:301228 is 499.28 g/mol.
Where can I buy RefChem:301228?
You can request a quote for RefChem:301228 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:301228?
Yes, KEHONG BIO provides custom synthesis services for RefChem:301228 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.