4-(3,4-Dimethoxyphenyl)-3,5-thiomorpholinedione
TL;DR: 4-(3,4-Dimethoxyphenyl)-3,5-thiomorpholinedione (CAS 338409-83-9) is a chemical compound with molecular formula C12H13NO4S and molecular weight 267.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dimethoxyphenyl)thiomorpholine-3,5-dione
Also Known As: 4-(3,4-dimethoxyphenyl)-3,5-thiomorpholinedione, 4-(3,4-dimethoxyphenyl)thiomorpholine-3,5-dione, 3,5-Thiomorpholinedione, 4-(3,4-dimethoxyphenyl)-
| Molecular Formula | C12H13NO4S |
|---|---|
| Molecular Weight | 267.06 g/mol |
| LogP | 1.3102 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.05652 |
| Heavy Atoms | 18 |
| Complexity | 472.9658 |
Chemical Identifiers
| CAS Number | 338409-83-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)N2C(=O)CSCC2=O)OC |
Product Overview
4-(3,4-Dimethoxyphenyl)-3,5-thiomorpholinedione (CAS 338409-83-9), with molecular formula C12H13NO4S and molecular weight 267.06 g/mol. IUPAC: 4-(3,4-dimethoxyphenyl)thiomorpholine-3,5-dione.
Chemical Property Profile of 4-(3,4-Dimethoxyphenyl)-3,5-thiomorpholinedione
Property Insights of 4-(3,4-Dimethoxyphenyl)-3,5-thiomorpholinedione
The XLogP value of 1.3102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3,4-Dimethoxyphenyl)-3,5-thiomorpholinedione. With a topological polar surface area (TPSA) of 55.84 Ų, 4-(3,4-Dimethoxyphenyl)-3,5-thiomorpholinedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3,4-Dimethoxyphenyl)-3,5-thiomorpholinedione has 0 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-(3,4-Dimethoxyphenyl)-3,5-thiomorpholinedione?
The CAS number of 4-(3,4-Dimethoxyphenyl)-3,5-thiomorpholinedione is 338409-83-9.
What is the molecular formula of 4-(3,4-Dimethoxyphenyl)-3,5-thiomorpholinedione?
The molecular formula of 4-(3,4-Dimethoxyphenyl)-3,5-thiomorpholinedione is C12H13NO4S.
What is the molecular weight of 4-(3,4-Dimethoxyphenyl)-3,5-thiomorpholinedione?
The molecular weight of 4-(3,4-Dimethoxyphenyl)-3,5-thiomorpholinedione is 267.06 g/mol.
Where can I buy 4-(3,4-Dimethoxyphenyl)-3,5-thiomorpholinedione?
You can request a quote for 4-(3,4-Dimethoxyphenyl)-3,5-thiomorpholinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,4-Dimethoxyphenyl)-3,5-thiomorpholinedione?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4-Dimethoxyphenyl)-3,5-thiomorpholinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.