3-(6-Oxo-2-sulfanylidene-1,3-diazinan-1-yl)propanoic acid
TL;DR: 3-(6-Oxo-2-sulfanylidene-1,3-diazinan-1-yl)propanoic acid (CAS 6972-08-3) is a chemical compound with molecular formula C7H10N2O3S and molecular weight 202.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6-oxo-2-sulfanylidene-1,3-diazinan-1-yl)propanoic acid
Also Known As: 3-(6-oxo-2-sulfanylidene-1,3-diazinan-1-yl)propanoic acid, 2-MERCAPTODIHYDROURACIL-3-beta-PROPIONIC ACID, 1(2H)-Pyrimidinepropanoicacid, tetrahydro-6-oxo-2-thioxo-, 3-(6-oxo-2-sulfanylidene-1,3-diazinan-1-yl)propanoicacid, 3-(6-oxo-2-thioxotetrahydro-1(2H)-pyrimidinyl)propanoic acid
| Molecular Formula | C7H10N2O3S |
|---|---|
| Molecular Weight | 202.04 g/mol |
| LogP | -0.4321 |
| Topological Polar Surface Area | 69.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.04121 |
| Heavy Atoms | 13 |
| Complexity | 238.12221 |
Chemical Identifiers
| CAS Number | 6972-08-3 |
|---|---|
| SMILES | C1CNC(=S)N(C1=O)CCC(=O)O |
Product Overview
3-(6-Oxo-2-sulfanylidene-1,3-diazinan-1-yl)propanoic acid (CAS 6972-08-3), with molecular formula C7H10N2O3S and molecular weight 202.04 g/mol. IUPAC: 3-(6-oxo-2-sulfanylidene-1,3-diazinan-1-yl)propanoic acid.
Chemical Property Profile of 3-(6-Oxo-2-sulfanylidene-1,3-diazinan-1-yl)propanoic acid
Property Insights of 3-(6-Oxo-2-sulfanylidene-1,3-diazinan-1-yl)propanoic acid
The XLogP value of -0.4321 indicates that 3-(6-Oxo-2-sulfanylidene-1,3-diazinan-1-yl)propanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(6-Oxo-2-sulfanylidene-1,3-diazinan-1-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(6-Oxo-2-sulfanylidene-1,3-diazinan-1-yl)propanoic acid has 2 hydrogen bond donor(s) and 3 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 3-(6-Oxo-2-sulfanylidene-1,3-diazinan-1-yl)propanoic acid?
The CAS number of 3-(6-Oxo-2-sulfanylidene-1,3-diazinan-1-yl)propanoic acid is 6972-08-3.
What is the molecular formula of 3-(6-Oxo-2-sulfanylidene-1,3-diazinan-1-yl)propanoic acid?
The molecular formula of 3-(6-Oxo-2-sulfanylidene-1,3-diazinan-1-yl)propanoic acid is C7H10N2O3S.
What is the molecular weight of 3-(6-Oxo-2-sulfanylidene-1,3-diazinan-1-yl)propanoic acid?
The molecular weight of 3-(6-Oxo-2-sulfanylidene-1,3-diazinan-1-yl)propanoic acid is 202.04 g/mol.
Where can I buy 3-(6-Oxo-2-sulfanylidene-1,3-diazinan-1-yl)propanoic acid?
You can request a quote for 3-(6-Oxo-2-sulfanylidene-1,3-diazinan-1-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(6-Oxo-2-sulfanylidene-1,3-diazinan-1-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(6-Oxo-2-sulfanylidene-1,3-diazinan-1-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.