RefChem:1086879
TL;DR: RefChem:1086879 (CAS 201747-21-9) is a chemical compound with molecular formula C17H17N3O5S and molecular weight 375.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(E)-(4,9-dimethoxy-5-oxofuro[3,2-g]chromen-7-yl)methylideneamino]-3-ethylthiourea
Also Known As: 4-Ethyl-1-((4,9-dimethoxy-5H-furo(3,2-g)(1)benzopyran-5-on-7-yl)methylene)thiosemicarbazone, Hydrazinecarbothioamide, 2-((4,9-dimethoxy-5-oxo-5H-furo(3,2-g)(1)benzopyran-7-yl)methylene)-N-ethyl-, 1-[({4,9-dimethoxy-5-oxo-5H-furo[3,2-g]chromen-7-yl}methylidene)amino]-3-ethylthiourea, 4,9-Dimethoxy-7-(4-ethylthiosemicarbazonomethyl)-5H-furo[3,2-g][1]benzopyran-5-one, RefChem:1086879
| Molecular Formula | C17H17N3O5S |
|---|---|
| Molecular Weight | 375.09 g/mol |
| LogP | 2.3743 |
| Topological Polar Surface Area | 98.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 375.0889 |
| Heavy Atoms | 26 |
| Complexity | 1053.8999 |
Chemical Identifiers
| CAS Number | 201747-21-9 |
|---|---|
| SMILES | CCNC(=S)N/N=C/C1=CC(=O)C2=C(C3=C(C(=C2O1)OC)OC=C3)OC |
Product Overview
RefChem:1086879 (CAS 201747-21-9), with molecular formula C17H17N3O5S and molecular weight 375.09 g/mol. IUPAC: 1-[(E)-(4,9-dimethoxy-5-oxofuro[3,2-g]chromen-7-yl)methylideneamino]-3-ethylthiourea.
Chemical Property Profile of RefChem:1086879
Property Insights of RefChem:1086879
The XLogP value of 2.3743 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1086879. The TPSA of 98.23 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1086879. Following Lipinski's Rule of Five, RefChem:1086879 has 2 hydrogen bond donor(s) and 7 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:1086879?
The CAS number of RefChem:1086879 is 201747-21-9.
What is the molecular formula of RefChem:1086879?
The molecular formula of RefChem:1086879 is C17H17N3O5S.
What is the molecular weight of RefChem:1086879?
The molecular weight of RefChem:1086879 is 375.09 g/mol.
Where can I buy RefChem:1086879?
You can request a quote for RefChem:1086879 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1086879?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1086879 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.