4-Carbethoxydiorcinal
TL;DR: 4-Carbethoxydiorcinal (CAS 74605-28-0) is a chemical compound with molecular formula C17H18O5 and molecular weight 302.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-hydroxy-4-(3-hydroxy-5-methylphenoxy)-6-methylbenzoate
Also Known As: Ethericin B, 4-Carbethoxydiorcinal, ethyl 2-hydroxy-4-(3-hydroxy-5-methylphenoxy)-6-methylbenzoate, 4-Carbethoxy-5,5'-dihydroxy-3,3'-dimethyldiphenyl ether, Benzoic acid, 2-hydroxy-4-(3-hydroxy-5-methylphenoxy)-6-methyl-, ethyl ester
| Molecular Formula | C17H18O5 |
|---|---|
| Molecular Weight | 302.12 g/mol |
| LogP | 3.68364 |
| Topological Polar Surface Area | 75.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.11542 |
| Heavy Atoms | 22 |
| Complexity | 662.9357 |
Chemical Identifiers
| CAS Number | 74605-28-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=C(C=C1C)OC2=CC(=CC(=C2)O)C)O |
Product Overview
4-Carbethoxydiorcinal (CAS 74605-28-0), with molecular formula C17H18O5 and molecular weight 302.12 g/mol. IUPAC: ethyl 2-hydroxy-4-(3-hydroxy-5-methylphenoxy)-6-methylbenzoate.
Chemical Property Profile of 4-Carbethoxydiorcinal
Property Insights of 4-Carbethoxydiorcinal
The XLogP value of 3.68364 indicates that 4-Carbethoxydiorcinal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Carbethoxydiorcinal. Following Lipinski's Rule of Five, 4-Carbethoxydiorcinal has 2 hydrogen bond donor(s) and 5 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 4-Carbethoxydiorcinal?
The CAS number of 4-Carbethoxydiorcinal is 74605-28-0.
What is the molecular formula of 4-Carbethoxydiorcinal?
The molecular formula of 4-Carbethoxydiorcinal is C17H18O5.
What is the molecular weight of 4-Carbethoxydiorcinal?
The molecular weight of 4-Carbethoxydiorcinal is 302.12 g/mol.
Where can I buy 4-Carbethoxydiorcinal?
You can request a quote for 4-Carbethoxydiorcinal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Carbethoxydiorcinal?
Yes, KEHONG BIO provides custom synthesis services for 4-Carbethoxydiorcinal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.