RefChem:1086871
TL;DR: RefChem:1086871 (CAS 124041-18-5) is a chemical compound with molecular formula C20H24N6O2S2 and molecular weight 444.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-methoxyphenyl)methyl]-3-[(E)-[(2E)-2-[(4-methoxyphenyl)methylcarbamothioylhydrazinylidene]ethylidene]amino]thiourea
Also Known As: 2,2'-(1,2-Ethanediylidene)bis(N-((4-methoxyphenyl)methyl)hydrazinecarbothioamide), Hydrazinecarbothioamide, 2,2'-(1,2-ethanediylidene)bis(N-((4-methoxyphenyl)methyl)-, RefChem:1086871, BRN 3636600
| Molecular Formula | C20H24N6O2S2 |
|---|---|
| Molecular Weight | 444.14 g/mol |
| LogP | 2.3038 |
| Topological Polar Surface Area | 91.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 444.14023 |
| Heavy Atoms | 30 |
| Complexity | 796.37036 |
Chemical Identifiers
| CAS Number | 124041-18-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CNC(=S)N/N=C/C=N/NC(=S)NCC2=CC=C(C=C2)OC |
Product Overview
RefChem:1086871 (CAS 124041-18-5), with molecular formula C20H24N6O2S2 and molecular weight 444.14 g/mol. IUPAC: 1-[(4-methoxyphenyl)methyl]-3-[(E)-[(2E)-2-[(4-methoxyphenyl)methylcarbamothioylhydrazinylidene]ethylidene]amino]thiourea.
Chemical Property Profile of RefChem:1086871
Property Insights of RefChem:1086871
The XLogP value of 2.3038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1086871. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1086871. Following Lipinski's Rule of Five, RefChem:1086871 has 4 hydrogen bond donor(s) and 6 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:1086871?
The CAS number of RefChem:1086871 is 124041-18-5.
What is the molecular formula of RefChem:1086871?
The molecular formula of RefChem:1086871 is C20H24N6O2S2.
What is the molecular weight of RefChem:1086871?
The molecular weight of RefChem:1086871 is 444.14 g/mol.
Where can I buy RefChem:1086871?
You can request a quote for RefChem:1086871 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1086871?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1086871 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.