1-(1-methylbutyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: 1-(1-methylbutyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 852399-71-4) is a chemical compound with molecular formula C9H14N2O2S and molecular weight 214.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-pentan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 1-(pentan-2-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione, 1-(1-methylbutyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 1-pentan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione, 1-(Pentan-2-yl)-2-thioxodihydropyrimidine-4,6(1h,5h)-dione, Dihydro-1-(1-methylbutyl)-2-thioxo-4,6(1H,5H)-pyrimidinedione
| Molecular Formula | C9H14N2O2S |
|---|---|
| Molecular Weight | 214.08 g/mol |
| LogP | 0.8084 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.0776 |
| Heavy Atoms | 14 |
| Complexity | 257.98553 |
Chemical Identifiers
| CAS Number | 852399-71-4 |
|---|---|
| SMILES | CCCC(C)N1C(=O)CC(=O)NC1=S |
Product Overview
1-(1-methylbutyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 852399-71-4), with molecular formula C9H14N2O2S and molecular weight 214.08 g/mol. IUPAC: 1-pentan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 1-(1-methylbutyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of 1-(1-methylbutyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 0.8084 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-methylbutyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. With a topological polar surface area (TPSA) of 49.41 Ų, 1-(1-methylbutyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-methylbutyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione has 1 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 1-(1-methylbutyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of 1-(1-methylbutyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 852399-71-4.
What is the molecular formula of 1-(1-methylbutyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of 1-(1-methylbutyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C9H14N2O2S.
What is the molecular weight of 1-(1-methylbutyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of 1-(1-methylbutyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 214.08 g/mol.
Where can I buy 1-(1-methylbutyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for 1-(1-methylbutyl)-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-(1-methylbutyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-methylbutyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.