RefChem:1086878
TL;DR: RefChem:1086878 (CAS 975-21-3) is a chemical compound with molecular formula C15H13N3O5S and molecular weight 347.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-(4,9-dimethoxy-5-oxofuro[3,2-g]chromen-7-yl)methylideneamino]thiourea
Also Known As: 1-((4,9-Dimethoxy-5H-furo(3,2-g)(1)benzopyran-5-on-7-yl)methylene)thiosemicarbazone, 2-((4,9-Dimethoxy-5-oxo-5H-furo(3,2-g)(1)benzopyran-7-yl)methylene)hydrazinecarbothioamide, Hydrazinecarbothioamide, 2-((4,9-dimethoxy-5-oxo-5H-furo(3,2-g)(1)benzopyran-7-yl)methylene)-, [({4,9-dimethoxy-5-oxo-5H-furo[3,2-g]chromen-7-yl}methylidene)amino]thiourea, 4,9-Dimethoxy-7-(thiosemicarbazonomethyl)-5H-furo[3,2-g][1]benzopyran-5-one
| Molecular Formula | C15H13N3O5S |
|---|---|
| Molecular Weight | 347.06 g/mol |
| LogP | 1.7235 |
| Topological Polar Surface Area | 112.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.0576 |
| Heavy Atoms | 24 |
| Complexity | 1021.2798 |
Chemical Identifiers
| CAS Number | 975-21-3 |
|---|---|
| SMILES | COC1=C2C(=O)C=C(OC2=C(C3=C1C=CO3)OC)/C=N/NC(=S)N |
Product Overview
RefChem:1086878 (CAS 975-21-3), with molecular formula C15H13N3O5S and molecular weight 347.06 g/mol. IUPAC: [(E)-(4,9-dimethoxy-5-oxofuro[3,2-g]chromen-7-yl)methylideneamino]thiourea.
Chemical Property Profile of RefChem:1086878
Property Insights of RefChem:1086878
The XLogP value of 1.7235 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1086878. The TPSA of 112.22 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1086878. Following Lipinski's Rule of Five, RefChem:1086878 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:1086878?
The CAS number of RefChem:1086878 is 975-21-3.
What is the molecular formula of RefChem:1086878?
The molecular formula of RefChem:1086878 is C15H13N3O5S.
What is the molecular weight of RefChem:1086878?
The molecular weight of RefChem:1086878 is 347.06 g/mol.
Where can I buy RefChem:1086878?
You can request a quote for RefChem:1086878 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1086878?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1086878 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.