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1-[N-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-3-phenylthiourea
TL;DR: 1-[N-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-3-phenylthiourea (CAS 586995-74-6) is a chemical compound with molecular formula C18H18N6S and molecular weight 350.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1E)-1-[amino-[(4,6-dimethylquinazolin-2-yl)amino]methylidene]-3-phenylthiourea
Also Known As: 1-[N-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-3-phenylthiourea, (1E)-1-[amino-[(4,6-dimethylquinazolin-2-yl)amino]methylidene]-3-phenylthiourea, 3-[N-(4,6-DIMETHYLQUINAZOLIN-2-YL)CARBAMIMIDOYL]-1-PHENYLTHIOUREA, N-[[(4,6-dimethylquinazolin-2-yl)amino](imino)methyl]-N'-phenylthiourea, ({[(4,6-dimethylquinazolin-2-yl)amino]iminomethyl}amino)(phenylamino)methane-1 -thione
| Molecular Formula | C18H18N6S |
|---|---|
| Molecular Weight | 350.13 g/mol |
| LogP | 3.37024 |
| Topological Polar Surface Area | 88.22 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 350.13138 |
| Heavy Atoms | 25 |
| Complexity | 952.44244 |
Chemical Identifiers
| CAS Number | 586995-74-6 |
|---|---|
| SMILES | CC1=CC2=C(N=C(N=C2C=C1)N/C(=N/C(=S)NC3=CC=CC=C3)/N)C |
Product Overview
1-[N-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-3-phenylthiourea (CAS 586995-74-6), with molecular formula C18H18N6S and molecular weight 350.13 g/mol. IUPAC: (1E)-1-[amino-[(4,6-dimethylquinazolin-2-yl)amino]methylidene]-3-phenylthiourea.
Chemical Property Profile of 1-[N-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-3-phenylthiourea
Property Insights of 1-[N-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-3-phenylthiourea
The XLogP value of 3.37024 indicates that 1-[N-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-3-phenylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[N-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-3-phenylthiourea. Following Lipinski's Rule of Five, 1-[N-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-3-phenylthiourea has 3 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-[N-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-3-phenylthiourea?
The CAS number of 1-[N-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-3-phenylthiourea is 586995-74-6.
What is the molecular formula of 1-[N-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-3-phenylthiourea?
The molecular formula of 1-[N-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-3-phenylthiourea is C18H18N6S.
What is the molecular weight of 1-[N-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-3-phenylthiourea?
The molecular weight of 1-[N-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-3-phenylthiourea is 350.13 g/mol.
Where can I buy 1-[N-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-3-phenylthiourea?
You can request a quote for 1-[N-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-3-phenylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[N-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-3-phenylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[N-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]-3-phenylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.