![6-(4-chlorophenyl)-8-(4-hydroxyphenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione structure](/static/products/1005/1005188-63-5.webp)
6-(4-chlorophenyl)-8-(4-hydroxyphenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione
TL;DR: 6-(4-chlorophenyl)-8-(4-hydroxyphenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione (CAS 1005188-63-5) is a chemical compound with molecular formula C20H13ClN2O4S2 and molecular weight 444.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(4-chlorophenyl)-8-(4-hydroxyphenyl)-2,6-dithia-4,11-diazatricyclo[7.3.0.03,7]dodec-3(7)-ene-5,10,12-trione
Also Known As: 6-(4-chlorophenyl)-8-(4-hydroxyphenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione, 5-(4-chlorophenyl)-8-(4-hydroxyphenyl)-2,10-dithia-5,12-diazatricyclo[7.3.0.0< 3,7>]dodec-1(9)-ene-4,6,11-trione, 6-(4-chlorophenyl)-8-(4-hydroxyphenyl)-7a,8-dihydropyrrolo[3',4':5,6]thiopyrano[2,3-d]thiazole-2,5,7(3H,4aH,6H)-trione
| Molecular Formula | C20H13ClN2O4S2 |
|---|---|
| Molecular Weight | 444.00 g/mol |
| LogP | 3.5912 |
| Topological Polar Surface Area | 90.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 444.00052 |
| Heavy Atoms | 29 |
| Complexity | 1186.4403 |
Chemical Identifiers
| CAS Number | 1005188-63-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)Cl)SC5=C2SC(=O)N5)O |
Product Overview
6-(4-chlorophenyl)-8-(4-hydroxyphenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione (CAS 1005188-63-5), with molecular formula C20H13ClN2O4S2 and molecular weight 444.00 g/mol. IUPAC: 11-(4-chlorophenyl)-8-(4-hydroxyphenyl)-2,6-dithia-4,11-diazatricyclo[7.3.0.03,7]dodec-3(7)-ene-5,10,12-trione.
Chemical Property Profile of 6-(4-chlorophenyl)-8-(4-hydroxyphenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione
Property Insights of 6-(4-chlorophenyl)-8-(4-hydroxyphenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione
The XLogP value of 3.5912 indicates that 6-(4-chlorophenyl)-8-(4-hydroxyphenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(4-chlorophenyl)-8-(4-hydroxyphenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione. Following Lipinski's Rule of Five, 6-(4-chlorophenyl)-8-(4-hydroxyphenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione has 2 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 6-(4-chlorophenyl)-8-(4-hydroxyphenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione?
The CAS number of 6-(4-chlorophenyl)-8-(4-hydroxyphenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione is 1005188-63-5.
What is the molecular formula of 6-(4-chlorophenyl)-8-(4-hydroxyphenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione?
The molecular formula of 6-(4-chlorophenyl)-8-(4-hydroxyphenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione is C20H13ClN2O4S2.
What is the molecular weight of 6-(4-chlorophenyl)-8-(4-hydroxyphenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione?
The molecular weight of 6-(4-chlorophenyl)-8-(4-hydroxyphenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione is 444.00 g/mol.
Where can I buy 6-(4-chlorophenyl)-8-(4-hydroxyphenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione?
You can request a quote for 6-(4-chlorophenyl)-8-(4-hydroxyphenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(4-chlorophenyl)-8-(4-hydroxyphenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-chlorophenyl)-8-(4-hydroxyphenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.