4H,5H-Thieno(2',3':5,6)(1,2)thiazino(3,4-c)-1,3-oxazin-4-one, 2,3-dihydro-8-chloro-3-cyclohexyl-2-(cyclohexylimino)-5-methyl-, 6,6-dioxide
TL;DR: 4H,5H-Thieno(2',3':5,6)(1,2)thiazino(3,4-c)-1,3-oxazin-4-one, 2,3-dihydro-8-chloro-3-cyclohexyl-2-(cyclohexylimino)-5-methyl-, 6,6-dioxide (CAS 123277-34-9) is a chemical compound with molecular formula C21H26ClN3O4S2 and molecular weight 483.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-11-cyclohexyl-12-cyclohexylimino-8-methyl-7,7-dioxo-13-oxa-3,7λ6-dithia-8,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-trien-10-one
Also Known As: 4H,5H-Thieno(2',3':5,6)(1,2)thiazino(3,4-c)-1,3-oxazin-4-one, 2,3-dihydro-8-chloro-3-cyclohexyl-2-(cyclohexylimino)-5-methyl-, 6,6-dioxide
| Molecular Formula | C21H26ClN3O4S2 |
|---|---|
| Molecular Weight | 483.11 g/mol |
| LogP | 4.7003 |
| Topological Polar Surface Area | 84.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 483.10532 |
| Heavy Atoms | 31 |
| Complexity | 1232.2917 |
Chemical Identifiers
| CAS Number | 123277-34-9 |
|---|---|
| SMILES | CN1C2=C(C3=C(S1(=O)=O)C=C(S3)Cl)OC(=NC4CCCCC4)N(C2=O)C5CCCCC5 |
Product Overview
4H,5H-Thieno(2',3':5,6)(1,2)thiazino(3,4-c)-1,3-oxazin-4-one, 2,3-dihydro-8-chloro-3-cyclohexyl-2-(cyclohexylimino)-5-methyl-, 6,6-dioxide (CAS 123277-34-9), with molecular formula C21H26ClN3O4S2 and molecular weight 483.11 g/mol. IUPAC: 4-chloro-11-cyclohexyl-12-cyclohexylimino-8-methyl-7,7-dioxo-13-oxa-3,7λ6-dithia-8,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-trien-10-one.
Chemical Property Profile of 4H,5H-Thieno(2',3':5,6)(1,2)thiazino(3,4-c)-1,3-oxazin-4-one, 2,3-dihydro-8-chloro-3-cyclohexyl-2-(cyclohexylimino)-5-methyl-, 6,6-dioxide
Property Insights of 4H,5H-Thieno(2',3':5,6)(1,2)thiazino(3,4-c)-1,3-oxazin-4-one, 2,3-dihydro-8-chloro-3-cyclohexyl-2-(cyclohexylimino)-5-methyl-, 6,6-dioxide
The XLogP value of 4.7003 indicates that 4H,5H-Thieno(2',3':5,6)(1,2)thiazino(3,4-c)-1,3-oxazin-4-one, 2,3-dihydro-8-chloro-3-cyclohexyl-2-(cyclohexylimino)-5-methyl-, 6,6-dioxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H,5H-Thieno(2',3':5,6)(1,2)thiazino(3,4-c)-1,3-oxazin-4-one, 2,3-dihydro-8-chloro-3-cyclohexyl-2-(cyclohexylimino)-5-methyl-, 6,6-dioxide. Following Lipinski's Rule of Five, 4H,5H-Thieno(2',3':5,6)(1,2)thiazino(3,4-c)-1,3-oxazin-4-one, 2,3-dihydro-8-chloro-3-cyclohexyl-2-(cyclohexylimino)-5-methyl-, 6,6-dioxide has 0 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 4H,5H-Thieno(2',3':5,6)(1,2)thiazino(3,4-c)-1,3-oxazin-4-one, 2,3-dihydro-8-chloro-3-cyclohexyl-2-(cyclohexylimino)-5-methyl-, 6,6-dioxide?
The CAS number of 4H,5H-Thieno(2',3':5,6)(1,2)thiazino(3,4-c)-1,3-oxazin-4-one, 2,3-dihydro-8-chloro-3-cyclohexyl-2-(cyclohexylimino)-5-methyl-, 6,6-dioxide is 123277-34-9.
What is the molecular formula of 4H,5H-Thieno(2',3':5,6)(1,2)thiazino(3,4-c)-1,3-oxazin-4-one, 2,3-dihydro-8-chloro-3-cyclohexyl-2-(cyclohexylimino)-5-methyl-, 6,6-dioxide?
The molecular formula of 4H,5H-Thieno(2',3':5,6)(1,2)thiazino(3,4-c)-1,3-oxazin-4-one, 2,3-dihydro-8-chloro-3-cyclohexyl-2-(cyclohexylimino)-5-methyl-, 6,6-dioxide is C21H26ClN3O4S2.
What is the molecular weight of 4H,5H-Thieno(2',3':5,6)(1,2)thiazino(3,4-c)-1,3-oxazin-4-one, 2,3-dihydro-8-chloro-3-cyclohexyl-2-(cyclohexylimino)-5-methyl-, 6,6-dioxide?
The molecular weight of 4H,5H-Thieno(2',3':5,6)(1,2)thiazino(3,4-c)-1,3-oxazin-4-one, 2,3-dihydro-8-chloro-3-cyclohexyl-2-(cyclohexylimino)-5-methyl-, 6,6-dioxide is 483.11 g/mol.
Where can I buy 4H,5H-Thieno(2',3':5,6)(1,2)thiazino(3,4-c)-1,3-oxazin-4-one, 2,3-dihydro-8-chloro-3-cyclohexyl-2-(cyclohexylimino)-5-methyl-, 6,6-dioxide?
You can request a quote for 4H,5H-Thieno(2',3':5,6)(1,2)thiazino(3,4-c)-1,3-oxazin-4-one, 2,3-dihydro-8-chloro-3-cyclohexyl-2-(cyclohexylimino)-5-methyl-, 6,6-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H,5H-Thieno(2',3':5,6)(1,2)thiazino(3,4-c)-1,3-oxazin-4-one, 2,3-dihydro-8-chloro-3-cyclohexyl-2-(cyclohexylimino)-5-methyl-, 6,6-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 4H,5H-Thieno(2',3':5,6)(1,2)thiazino(3,4-c)-1,3-oxazin-4-one, 2,3-dihydro-8-chloro-3-cyclohexyl-2-(cyclohexylimino)-5-methyl-, 6,6-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.