![10-nitro-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazol-2-one structure](/static/products/489/489400-85-3.png)
10-nitro-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazol-2-one
TL;DR: 10-nitro-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazol-2-one (CAS 489400-85-3) is a chemical compound with molecular formula C13H10N2O4S2 and molecular weight 322.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13(17)-tetraen-15-one
Also Known As: 10-nitro-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazol-2-one, 10-nitro-5,5a,6,11b-tetrahydrochromeno[4',3':4,5]thiopyrano[2,3-d]thiazol-2(3H)-one, 2-nitro-7H,9H,11bH,6aH-1,3-thiazolino[5',4'-5,6]thiino[3,4-c]chroman-10-one
| Molecular Formula | C13H10N2O4S2 |
|---|---|
| Molecular Weight | 322.01 g/mol |
| LogP | 2.5908 |
| Topological Polar Surface Area | 85.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 322.0082 |
| Heavy Atoms | 21 |
| Complexity | 797.7092 |
Chemical Identifiers
| CAS Number | 489400-85-3 |
|---|---|
| SMILES | C1C2CSC3=C(C2C4=C(O1)C=CC(=C4)[N+](=O)[O-])SC(=O)N3 |
Product Overview
10-nitro-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazol-2-one (CAS 489400-85-3), with molecular formula C13H10N2O4S2 and molecular weight 322.01 g/mol. IUPAC: 4-nitro-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13(17)-tetraen-15-one.
Chemical Property Profile of 10-nitro-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazol-2-one
Property Insights of 10-nitro-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazol-2-one
The XLogP value of 2.5908 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 10-nitro-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazol-2-one. The TPSA of 85.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 10-nitro-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazol-2-one. Following Lipinski's Rule of Five, 10-nitro-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazol-2-one has 1 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 10-nitro-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazol-2-one?
The CAS number of 10-nitro-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazol-2-one is 489400-85-3.
What is the molecular formula of 10-nitro-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazol-2-one?
The molecular formula of 10-nitro-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazol-2-one is C13H10N2O4S2.
What is the molecular weight of 10-nitro-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazol-2-one?
The molecular weight of 10-nitro-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazol-2-one is 322.01 g/mol.
Where can I buy 10-nitro-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazol-2-one?
You can request a quote for 10-nitro-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-nitro-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 10-nitro-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.