1-(3-Ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1h,5h)-dione
TL;DR: 1-(3-Ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1h,5h)-dione (CAS 6289-86-7) is a chemical compound with molecular formula C12H12N2O3S and molecular weight 264.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: KST-1B6540, 1-(3-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1h,5h)-dione, AB00105031-01, 1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, 1-(3-Ethoxyphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
| Molecular Formula | C12H12N2O3S |
|---|---|
| Molecular Weight | 264.06 g/mol |
| LogP | 1.2231 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.05685 |
| Heavy Atoms | 18 |
| Complexity | 495.79892 |
Chemical Identifiers
| CAS Number | 6289-86-7 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)N2C(=O)CC(=O)NC2=S |
Product Overview
1-(3-Ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1h,5h)-dione (CAS 6289-86-7), with molecular formula C12H12N2O3S and molecular weight 264.06 g/mol. IUPAC: 1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 1-(3-Ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1h,5h)-dione
Property Insights of 1-(3-Ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1h,5h)-dione
The XLogP value of 1.2231 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1h,5h)-dione. With a topological polar surface area (TPSA) of 58.64 Ų, 1-(3-Ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1h,5h)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1h,5h)-dione has 1 hydrogen bond donor(s) and 4 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 1-(3-Ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1h,5h)-dione?
The CAS number of 1-(3-Ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1h,5h)-dione is 6289-86-7.
What is the molecular formula of 1-(3-Ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1h,5h)-dione?
The molecular formula of 1-(3-Ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1h,5h)-dione is C12H12N2O3S.
What is the molecular weight of 1-(3-Ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1h,5h)-dione?
The molecular weight of 1-(3-Ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1h,5h)-dione is 264.06 g/mol.
Where can I buy 1-(3-Ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1h,5h)-dione?
You can request a quote for 1-(3-Ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1h,5h)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1h,5h)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1h,5h)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.