N,N-diallyl-N'-(3-methylbenzoyl)thiourea
TL;DR: N,N-diallyl-N'-(3-methylbenzoyl)thiourea (CAS 791792-39-7) is a chemical compound with molecular formula C15H18N2OS and molecular weight 274.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[bis(prop-2-enyl)carbamothioyl]-3-methylbenzamide
Also Known As: N,N-diallyl-N'-(3-methylbenzoyl)thiourea, N,N-Diallyl-N/'-(3-methylbenzoyl)thiourea, N-[(diallylamino)carbonothioyl]-3-methylbenzamide, N-[bis(prop-2-enyl)carbamothioyl]-3-methylbenzamide, AN-329/42607857
| Molecular Formula | C15H18N2OS |
|---|---|
| Molecular Weight | 274.11 g/mol |
| LogP | 2.68372 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.11398 |
| Heavy Atoms | 19 |
| Complexity | 486.67386 |
Chemical Identifiers
| CAS Number | 791792-39-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)NC(=S)N(CC=C)CC=C |
Product Overview
N,N-diallyl-N'-(3-methylbenzoyl)thiourea (CAS 791792-39-7), with molecular formula C15H18N2OS and molecular weight 274.11 g/mol. IUPAC: N-[bis(prop-2-enyl)carbamothioyl]-3-methylbenzamide.
Chemical Property Profile of N,N-diallyl-N'-(3-methylbenzoyl)thiourea
Property Insights of N,N-diallyl-N'-(3-methylbenzoyl)thiourea
The XLogP value of 2.68372 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-diallyl-N'-(3-methylbenzoyl)thiourea. With a topological polar surface area (TPSA) of 32.34 Ų, N,N-diallyl-N'-(3-methylbenzoyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-diallyl-N'-(3-methylbenzoyl)thiourea has 1 hydrogen bond donor(s) and 2 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,N-diallyl-N'-(3-methylbenzoyl)thiourea?
The CAS number of N,N-diallyl-N'-(3-methylbenzoyl)thiourea is 791792-39-7.
What is the molecular formula of N,N-diallyl-N'-(3-methylbenzoyl)thiourea?
The molecular formula of N,N-diallyl-N'-(3-methylbenzoyl)thiourea is C15H18N2OS.
What is the molecular weight of N,N-diallyl-N'-(3-methylbenzoyl)thiourea?
The molecular weight of N,N-diallyl-N'-(3-methylbenzoyl)thiourea is 274.11 g/mol.
Where can I buy N,N-diallyl-N'-(3-methylbenzoyl)thiourea?
You can request a quote for N,N-diallyl-N'-(3-methylbenzoyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-diallyl-N'-(3-methylbenzoyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N,N-diallyl-N'-(3-methylbenzoyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.