N-benzyl-N'-(3-methyl-1,1-dioxidotetrahydro-3-thienyl)urea
TL;DR: N-benzyl-N'-(3-methyl-1,1-dioxidotetrahydro-3-thienyl)urea (CAS 321580-58-9) is a chemical compound with molecular formula C13H18N2O3S and molecular weight 282.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-(3-methyl-1,1-dioxothiolan-3-yl)urea
Also Known As: SDCCGMLS-0064688.P001, BAS 05438078, N-benzyl-N'-(3-methyl-1,1-dioxidotetrahydro-3-thienyl)urea, 1-benzyl-3-(3-methyl-1,1-dioxothiolan-3-yl)urea, AE-848/33642058
| Molecular Formula | C13H18N2O3S |
|---|---|
| Molecular Weight | 282.10 g/mol |
| LogP | 1.063 |
| Topological Polar Surface Area | 75.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.10382 |
| Heavy Atoms | 19 |
| Complexity | 556.51086 |
Chemical Identifiers
| CAS Number | 321580-58-9 |
|---|---|
| SMILES | CC1(CCS(=O)(=O)C1)NC(=O)NCC2=CC=CC=C2 |
Product Overview
N-benzyl-N'-(3-methyl-1,1-dioxidotetrahydro-3-thienyl)urea (CAS 321580-58-9), with molecular formula C13H18N2O3S and molecular weight 282.10 g/mol. IUPAC: 1-benzyl-3-(3-methyl-1,1-dioxothiolan-3-yl)urea.
Chemical Property Profile of N-benzyl-N'-(3-methyl-1,1-dioxidotetrahydro-3-thienyl)urea
Property Insights of N-benzyl-N'-(3-methyl-1,1-dioxidotetrahydro-3-thienyl)urea
The XLogP value of 1.063 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-N'-(3-methyl-1,1-dioxidotetrahydro-3-thienyl)urea. The TPSA of 75.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-N'-(3-methyl-1,1-dioxidotetrahydro-3-thienyl)urea. Following Lipinski's Rule of Five, N-benzyl-N'-(3-methyl-1,1-dioxidotetrahydro-3-thienyl)urea 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 N-benzyl-N'-(3-methyl-1,1-dioxidotetrahydro-3-thienyl)urea?
The CAS number of N-benzyl-N'-(3-methyl-1,1-dioxidotetrahydro-3-thienyl)urea is 321580-58-9.
What is the molecular formula of N-benzyl-N'-(3-methyl-1,1-dioxidotetrahydro-3-thienyl)urea?
The molecular formula of N-benzyl-N'-(3-methyl-1,1-dioxidotetrahydro-3-thienyl)urea is C13H18N2O3S.
What is the molecular weight of N-benzyl-N'-(3-methyl-1,1-dioxidotetrahydro-3-thienyl)urea?
The molecular weight of N-benzyl-N'-(3-methyl-1,1-dioxidotetrahydro-3-thienyl)urea is 282.10 g/mol.
Where can I buy N-benzyl-N'-(3-methyl-1,1-dioxidotetrahydro-3-thienyl)urea?
You can request a quote for N-benzyl-N'-(3-methyl-1,1-dioxidotetrahydro-3-thienyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-N'-(3-methyl-1,1-dioxidotetrahydro-3-thienyl)urea?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-N'-(3-methyl-1,1-dioxidotetrahydro-3-thienyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.