RefChem:1086885
TL;DR: RefChem:1086885 (CAS 186453-61-2) is a chemical compound with molecular formula C22H30N4OS and molecular weight 398.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(4-propoxyphenyl)methyl]thiourea
Also Known As: 2-((4-(Diethylamino)phenyl)methylene)-N-((4-propoxyphenyl)methyl)hydrazinecarbothioamide, Hydrazinecarbothioamide, 2-((4-(diethylamino)phenyl)methylene)-N-((4-propoxyphenyl)methyl)-, 1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(4-propoxyphenyl)methyl]thiourea, Hydrazinecarbothioamide, 2-((4-(diethylamino)phenyl)methylene)-N-((4-p ropoxyphenyl)methyl)-, N-((3-Bromo-4-ethoxyphenyl)methyl)-2-((2-hydroxyphenyl)methylene)hydrazinecarbothioamide
| Molecular Formula | C22H30N4OS |
|---|---|
| Molecular Weight | 398.21 g/mol |
| LogP | 4.3198 |
| Topological Polar Surface Area | 48.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 398.21402 |
| Heavy Atoms | 28 |
| Complexity | 740.137 |
Chemical Identifiers
| CAS Number | 186453-61-2 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)CNC(=S)N/N=C/C2=CC=C(C=C2)N(CC)CC |
Product Overview
RefChem:1086885 (CAS 186453-61-2), with molecular formula C22H30N4OS and molecular weight 398.21 g/mol. IUPAC: 1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(4-propoxyphenyl)methyl]thiourea.
Chemical Property Profile of RefChem:1086885
Property Insights of RefChem:1086885
The XLogP value of 4.3198 indicates that RefChem:1086885 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:1086885 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1086885 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:1086885?
The CAS number of RefChem:1086885 is 186453-61-2.
What is the molecular formula of RefChem:1086885?
The molecular formula of RefChem:1086885 is C22H30N4OS.
What is the molecular weight of RefChem:1086885?
The molecular weight of RefChem:1086885 is 398.21 g/mol.
Where can I buy RefChem:1086885?
You can request a quote for RefChem:1086885 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1086885?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1086885 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.