RefChem:1086905
TL;DR: RefChem:1086905 (CAS 186453-66-7) is a chemical compound with molecular formula C20H25BrN4OS and molecular weight 448.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-bromo-4-methoxyphenyl)methyl]-3-[(E)-[4-(diethylamino)phenyl]methylideneamino]thiourea
Also Known As: Hydrazinecarbothioamide, N-((3-bromo-4-methoxyphenyl)methyl)-2-((4-(diethylamino)phenyl)methylene)-, 1-[(3-bromo-4-methoxyphenyl)methyl]-3-[(E)-[4-(diethylamino)phenyl]methylideneamino]thiourea, Hydrazinecarbothioamide, N-((3-bromo-4-methoxyphenyl)methyl)-2-((4-(di ethylamino)phenyl)methylene)-, 1-[(3-bromo-4-methoxy-phenyl)methyl]-3-[(4-diethylaminophenyl)methylideneamino]thiourea, Hydrazinecarbothioamide,N-((3-bromo-4-methoxyphenyl)methyl)-2-((4-(diethylamino)phenyl)methylene)
| Molecular Formula | C20H25BrN4OS |
|---|---|
| Molecular Weight | 448.09 g/mol |
| LogP | 4.3021 |
| Topological Polar Surface Area | 48.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 448.09326 |
| Heavy Atoms | 27 |
| Complexity | 776.0512 |
Chemical Identifiers
| CAS Number | 186453-66-7 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)/C=N/NC(=S)NCC2=CC(=C(C=C2)OC)Br |
Product Overview
RefChem:1086905 (CAS 186453-66-7), with molecular formula C20H25BrN4OS and molecular weight 448.09 g/mol. IUPAC: 1-[(3-bromo-4-methoxyphenyl)methyl]-3-[(E)-[4-(diethylamino)phenyl]methylideneamino]thiourea.
Chemical Property Profile of RefChem:1086905
Property Insights of RefChem:1086905
The XLogP value of 4.3021 indicates that RefChem:1086905 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.89 Ų, RefChem:1086905 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1086905 has 2 hydrogen bond donor(s) and 4 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:1086905?
The CAS number of RefChem:1086905 is 186453-66-7.
What is the molecular formula of RefChem:1086905?
The molecular formula of RefChem:1086905 is C20H25BrN4OS.
What is the molecular weight of RefChem:1086905?
The molecular weight of RefChem:1086905 is 448.09 g/mol.
Where can I buy RefChem:1086905?
You can request a quote for RefChem:1086905 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1086905?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1086905 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.