RefChem:1086918
TL;DR: RefChem:1086918 (CAS 119033-87-3) is a chemical compound with molecular formula C14H16N4OS and molecular weight 288.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)-3-[(E)-(1-methylpyrrol-2-yl)methylideneamino]thiourea
Also Known As: 1H-Pyrrole-2-carboxaldehyde, 1-methyl-, 4-(p-methoxyphenyl)thiosemicarbazone, Semicarbazide, 4-(p-methoxyphenyl)-1-((1-methyl-2-pyrrolyl)methylene)-3-thio-, Hydrazinecarbothioamide, N-(4-methoxyphenyl)-2-((1-methyl-1H-pyrrol-2-yl)methylene)-, Hydrazinecarbothioamide, N-(4-methoxyphenyl)-2-((1-methyl-1H-pyrrol-2-yl)methylene)- (9CI), RefChem:1086918
| Molecular Formula | C14H16N4OS |
|---|---|
| Molecular Weight | 288.10 g/mol |
| LogP | 2.3542 |
| Topological Polar Surface Area | 50.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.1045 |
| Heavy Atoms | 20 |
| Complexity | 603.8914 |
Chemical Identifiers
| CAS Number | 119033-87-3 |
|---|---|
| SMILES | CN1C=CC=C1/C=N/NC(=S)NC2=CC=C(C=C2)OC |
Product Overview
RefChem:1086918 (CAS 119033-87-3), with molecular formula C14H16N4OS and molecular weight 288.10 g/mol. IUPAC: 1-(4-methoxyphenyl)-3-[(E)-(1-methylpyrrol-2-yl)methylideneamino]thiourea.
Chemical Property Profile of RefChem:1086918
Property Insights of RefChem:1086918
The XLogP value of 2.3542 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1086918. With a topological polar surface area (TPSA) of 50.58 Ų, RefChem:1086918 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1086918 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 RefChem:1086918?
The CAS number of RefChem:1086918 is 119033-87-3.
What is the molecular formula of RefChem:1086918?
The molecular formula of RefChem:1086918 is C14H16N4OS.
What is the molecular weight of RefChem:1086918?
The molecular weight of RefChem:1086918 is 288.10 g/mol.
Where can I buy RefChem:1086918?
You can request a quote for RefChem:1086918 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1086918?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1086918 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.