RefChem:563614
TL;DR: RefChem:563614 (CAS 67827-52-5) is a chemical compound with molecular formula C25H24O6 and molecular weight 420.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 3-(3,5-dimethoxy-4-phenylmethoxyphenyl)-3-oxopropanoate
Also Known As: benzyl 3-[4-(benzyloxy)-3,5-dimethoxyphenyl]-3-oxopropanoate, (3,5-Dimethoxy-4-(phenylmethoxy)benzoyl)acetic acid, phenylmethyl ester, Benzenepropanoic acid, 3,5-dimethoxy-beta-oxo-4-(phenylmethoxy)-, phenylmethyl ester, Benzenepropanoic acid, 3,5-dimethoxy-.beta.-oxo-4-(phenylmethoxy)-, phenylmethyl ester, benzyl 3-(3,5-dimethoxy-4-phenylmethoxyphenyl)-3-oxopropanoate
| Molecular Formula | C25H24O6 |
|---|---|
| Molecular Weight | 420.16 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 420.1573 |
| Heavy Atoms | 31 |
| Complexity | 538.0 |
Chemical Identifiers
| CAS Number | 67827-52-5 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(=O)CC(=O)OCC3=CC=CC=C3 |
| InChIKey | MZDVSWNINTYWCE-UHFFFAOYSA-N |
Product Overview
RefChem:563614 (CAS 67827-52-5), with molecular formula C25H24O6 and molecular weight 420.16 g/mol. IUPAC: benzyl 3-(3,5-dimethoxy-4-phenylmethoxyphenyl)-3-oxopropanoate.
Chemical Property Profile of RefChem:563614
Property Insights of RefChem:563614
The XLogP value of 4.5 indicates that RefChem:563614 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:563614. Following Lipinski's Rule of Five, RefChem:563614 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:563614?
The CAS number of RefChem:563614 is 67827-52-5.
What is the molecular formula of RefChem:563614?
The molecular formula of RefChem:563614 is C25H24O6.
What is the molecular weight of RefChem:563614?
The molecular weight of RefChem:563614 is 420.16 g/mol.
Where can I buy RefChem:563614?
You can request a quote for RefChem:563614 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:563614?
Yes, KEHONG BIO provides custom synthesis services for RefChem:563614 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.