Merocil
TL;DR: Merocil (CAS 143413-72-3) is a chemical compound with molecular formula C13H22N2O4S and molecular weight 302.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dibutyl-5-hydroxy-5-methoxy-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: Merocil, N,N'-Dibutyl-4,5-dihydro-5-hydroxy-5-methoxy-4-oxo-2-thiouracil, 1,3-dibutyl-5-hydroxy-5-methoxy-2-sulfanylidene-1,3-diazinane-4,6-dione, 1,3-Dibutyldihydro-5-hydroxy-5-methoxy-2-thioxo-4,6(1H,5H)-pyrimidinedione, 4,6(1H,5H)-Pyrimidinedione,1,3-dibutyldihydro-5-hydroxy-5-methoxy-2-thioxo-
| Molecular Formula | C13H22N2O4S |
|---|---|
| Molecular Weight | 302.13 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 302.13004 |
| Heavy Atoms | 20 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 143413-72-3 |
|---|---|
| SMILES | CCCCN1C(=O)C(C(=O)N(C1=S)CCCC)(O)OC |
| InChIKey | WUYOSDQTOAOHAL-UHFFFAOYSA-N |
Product Overview
Merocil (CAS 143413-72-3), with molecular formula C13H22N2O4S and molecular weight 302.13 g/mol. IUPAC: 1,3-dibutyl-5-hydroxy-5-methoxy-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of Merocil
Property Insights of Merocil
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Merocil. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Merocil. Following Lipinski's Rule of Five, Merocil has 1 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 Merocil?
The CAS number of Merocil is 143413-72-3.
What is the molecular formula of Merocil?
The molecular formula of Merocil is C13H22N2O4S.
What is the molecular weight of Merocil?
The molecular weight of Merocil is 302.13 g/mol.
Where can I buy Merocil?
You can request a quote for Merocil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Merocil?
Yes, KEHONG BIO provides custom synthesis services for Merocil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.