![6,7-dihydroxy-4-[({4-[(oxolan-2-yl)methyl]-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2H-chromen-2-one structure](/static/products/736/736937-08-9.png)
6,7-dihydroxy-4-[({4-[(oxolan-2-yl)methyl]-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2H-chromen-2-one
TL;DR: 6,7-dihydroxy-4-[({4-[(oxolan-2-yl)methyl]-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2H-chromen-2-one (CAS 736937-08-9) is a chemical compound with molecular formula C21H19N3O5S2 and molecular weight 457.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dihydroxy-4-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one
Also Known As: 6,7-dihydroxy-4-[({4-[(oxolan-2-yl)methyl]-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2H-chromen-2-one, 6,7-dihydroxy-4-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one
| Molecular Formula | C21H19N3O5S2 |
|---|---|
| Molecular Weight | 457.08 g/mol |
| LogP | 3.9955 |
| Topological Polar Surface Area | 110.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.0766 |
| Heavy Atoms | 31 |
| Complexity | 1276.4001 |
Chemical Identifiers
| CAS Number | 736937-08-9 |
|---|---|
| SMILES | C1CC(OC1)CN2C(=NN=C2SCC3=CC(=O)OC4=CC(=C(C=C34)O)O)C5=CC=CS5 |
Product Overview
6,7-dihydroxy-4-[({4-[(oxolan-2-yl)methyl]-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2H-chromen-2-one (CAS 736937-08-9), with molecular formula C21H19N3O5S2 and molecular weight 457.08 g/mol. IUPAC: 6,7-dihydroxy-4-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one.
Chemical Property Profile of 6,7-dihydroxy-4-[({4-[(oxolan-2-yl)methyl]-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2H-chromen-2-one
Property Insights of 6,7-dihydroxy-4-[({4-[(oxolan-2-yl)methyl]-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2H-chromen-2-one
The XLogP value of 3.9955 indicates that 6,7-dihydroxy-4-[({4-[(oxolan-2-yl)methyl]-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,7-dihydroxy-4-[({4-[(oxolan-2-yl)methyl]-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2H-chromen-2-one. Following Lipinski's Rule of Five, 6,7-dihydroxy-4-[({4-[(oxolan-2-yl)methyl]-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2H-chromen-2-one has 2 hydrogen bond donor(s) and 9 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 6,7-dihydroxy-4-[({4-[(oxolan-2-yl)methyl]-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2H-chromen-2-one?
The CAS number of 6,7-dihydroxy-4-[({4-[(oxolan-2-yl)methyl]-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2H-chromen-2-one is 736937-08-9.
What is the molecular formula of 6,7-dihydroxy-4-[({4-[(oxolan-2-yl)methyl]-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2H-chromen-2-one?
The molecular formula of 6,7-dihydroxy-4-[({4-[(oxolan-2-yl)methyl]-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2H-chromen-2-one is C21H19N3O5S2.
What is the molecular weight of 6,7-dihydroxy-4-[({4-[(oxolan-2-yl)methyl]-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2H-chromen-2-one?
The molecular weight of 6,7-dihydroxy-4-[({4-[(oxolan-2-yl)methyl]-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2H-chromen-2-one is 457.08 g/mol.
Where can I buy 6,7-dihydroxy-4-[({4-[(oxolan-2-yl)methyl]-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2H-chromen-2-one?
You can request a quote for 6,7-dihydroxy-4-[({4-[(oxolan-2-yl)methyl]-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2H-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7-dihydroxy-4-[({4-[(oxolan-2-yl)methyl]-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6,7-dihydroxy-4-[({4-[(oxolan-2-yl)methyl]-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.