5-(3-chloro-4-ethoxy-5-methoxybenzylidene)-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
TL;DR: 5-(3-chloro-4-ethoxy-5-methoxybenzylidene)-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione (CAS 6356-47-4) is a chemical compound with molecular formula C16H17ClN2O4S and molecular weight 368.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 5-(3-chloro-4-ethoxy-5-methoxybenzylidene)-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione, 5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-(3-chloro-4-ethoxy-5-methoxybenzylidene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylene]-1,3-dimethyl-2-thioxo-1,3-dih ydropyrimidine-4,6-dione
| Molecular Formula | C16H17ClN2O4S |
|---|---|
| Molecular Weight | 368.06 g/mol |
| LogP | 2.346 |
| Topological Polar Surface Area | 59.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.05975 |
| Heavy Atoms | 24 |
| Complexity | 721.83813 |
Chemical Identifiers
| CAS Number | 6356-47-4 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1Cl)C=C2C(=O)N(C(=S)N(C2=O)C)C)OC |
Product Overview
5-(3-chloro-4-ethoxy-5-methoxybenzylidene)-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione (CAS 6356-47-4), with molecular formula C16H17ClN2O4S and molecular weight 368.06 g/mol. IUPAC: 5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 5-(3-chloro-4-ethoxy-5-methoxybenzylidene)-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Property Insights of 5-(3-chloro-4-ethoxy-5-methoxybenzylidene)-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
The XLogP value of 2.346 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-chloro-4-ethoxy-5-methoxybenzylidene)-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione. With a topological polar surface area (TPSA) of 59.08 Ų, 5-(3-chloro-4-ethoxy-5-methoxybenzylidene)-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-chloro-4-ethoxy-5-methoxybenzylidene)-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione 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 5-(3-chloro-4-ethoxy-5-methoxybenzylidene)-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione?
The CAS number of 5-(3-chloro-4-ethoxy-5-methoxybenzylidene)-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione is 6356-47-4.
What is the molecular formula of 5-(3-chloro-4-ethoxy-5-methoxybenzylidene)-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione?
The molecular formula of 5-(3-chloro-4-ethoxy-5-methoxybenzylidene)-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione is C16H17ClN2O4S.
What is the molecular weight of 5-(3-chloro-4-ethoxy-5-methoxybenzylidene)-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione?
The molecular weight of 5-(3-chloro-4-ethoxy-5-methoxybenzylidene)-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione is 368.06 g/mol.
Where can I buy 5-(3-chloro-4-ethoxy-5-methoxybenzylidene)-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione?
You can request a quote for 5-(3-chloro-4-ethoxy-5-methoxybenzylidene)-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-chloro-4-ethoxy-5-methoxybenzylidene)-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-chloro-4-ethoxy-5-methoxybenzylidene)-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.