dimethyl 7-(4-methoxyphenyl)-1
TL;DR: dimethyl 7-(4-methoxyphenyl)-1 (CAS 59339-12-7) is a chemical compound with molecular formula C16H14O5S3 and molecular weight 382.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 7-(4-methoxyphenyl)-1λ4,2,8-trithiabicyclo[3.3.0]octa-1(5),3,6-triene-3,4-dicarboxylate
Also Known As: dimethyl 7-(4-methoxyphenyl)-1, AO-159/37342024, dimethyl 5-(4-methoxyphenyl)-7lambda~4~-[1,2]dithiolo[5,1-e][1,2]dithiole-2,3-dicarboxylate, dimethyl 7-(4-methoxyphenyl)-1lambda4,2,8-trithiabicyclo[3.3.0]octa-1(5),3,6-triene-3,4-dicarboxylate
| Molecular Formula | C16H14O5S3 |
|---|---|
| Molecular Weight | 382.00 g/mol |
| LogP | 3.4011 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.00034 |
| Heavy Atoms | 24 |
| Complexity | 805.5067 |
Chemical Identifiers
| CAS Number | 59339-12-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CC3=S(S2)SC(=C3C(=O)OC)C(=O)OC |
Product Overview
dimethyl 7-(4-methoxyphenyl)-1 (CAS 59339-12-7), with molecular formula C16H14O5S3 and molecular weight 382.00 g/mol. IUPAC: dimethyl 7-(4-methoxyphenyl)-1λ4,2,8-trithiabicyclo[3.3.0]octa-1(5),3,6-triene-3,4-dicarboxylate.
Chemical Property Profile of dimethyl 7-(4-methoxyphenyl)-1
Property Insights of dimethyl 7-(4-methoxyphenyl)-1
The XLogP value of 3.4011 indicates that dimethyl 7-(4-methoxyphenyl)-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 7-(4-methoxyphenyl)-1. Following Lipinski's Rule of Five, dimethyl 7-(4-methoxyphenyl)-1 has 0 hydrogen bond donor(s) and 7 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 dimethyl 7-(4-methoxyphenyl)-1?
The CAS number of dimethyl 7-(4-methoxyphenyl)-1 is 59339-12-7.
What is the molecular formula of dimethyl 7-(4-methoxyphenyl)-1?
The molecular formula of dimethyl 7-(4-methoxyphenyl)-1 is C16H14O5S3.
What is the molecular weight of dimethyl 7-(4-methoxyphenyl)-1?
The molecular weight of dimethyl 7-(4-methoxyphenyl)-1 is 382.00 g/mol.
Where can I buy dimethyl 7-(4-methoxyphenyl)-1?
You can request a quote for dimethyl 7-(4-methoxyphenyl)-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 7-(4-methoxyphenyl)-1?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 7-(4-methoxyphenyl)-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.