4H,5H-Thieno(2',3':5,6)(1,2)thiazino(3,4-c)-1,3-oxazin-4-one, 2,3-dihydro-8-chloro-2-((2-methoxyethoxy)methylene)-5-methyl-3-(2-pyridinyl)-, 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-2-((2-methoxyethoxy)methylene)-5-methyl-3-(2-pyridinyl)-, 6,6-dioxide (CAS 123253-03-2) is a chemical compound with molecular formula C18H16ClN3O6S2 and molecular weight 469.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(12E)-4-chloro-12-(2-methoxyethoxymethylidene)-8-methyl-7,7-dioxo-11-pyridin-2-yl-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-2-((2-methoxyethoxy)methylene)-5-methyl-3-(2-pyridinyl)-, 6,6-dioxide, RefChem:1071749
| Molecular Formula | C18H16ClN3O6S2 |
|---|---|
| Molecular Weight | 469.02 g/mol |
| LogP | 2.6245 |
| Topological Polar Surface Area | 98.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 469.0169 |
| Heavy Atoms | 30 |
| Complexity | 1159.8394 |
Chemical Identifiers
| CAS Number | 123253-03-2 |
|---|---|
| SMILES | CN1C2=C(C3=C(S1(=O)=O)C=C(S3)Cl)O/C(=C/OCCOC)/N(C2=O)C4=CC=CC=N4 |
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-2-((2-methoxyethoxy)methylene)-5-methyl-3-(2-pyridinyl)-, 6,6-dioxide (CAS 123253-03-2), with molecular formula C18H16ClN3O6S2 and molecular weight 469.02 g/mol. IUPAC: (12E)-4-chloro-12-(2-methoxyethoxymethylidene)-8-methyl-7,7-dioxo-11-pyridin-2-yl-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-2-((2-methoxyethoxy)methylene)-5-methyl-3-(2-pyridinyl)-, 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-2-((2-methoxyethoxy)methylene)-5-methyl-3-(2-pyridinyl)-, 6,6-dioxide
The XLogP value of 2.6245 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H,5H-Thieno(2',3':5,6)(1,2)thiazino(3,4-c)-1,3-oxazin-4-one, 2,3-dihydro-8-chloro-2-((2-methoxyethoxy)methylene)-5-methyl-3-(2-pyridinyl)-, 6,6-dioxide. The TPSA of 98.27 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-2-((2-methoxyethoxy)methylene)-5-methyl-3-(2-pyridinyl)-, 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-2-((2-methoxyethoxy)methylene)-5-methyl-3-(2-pyridinyl)-, 6,6-dioxide has 0 hydrogen bond donor(s) and 8 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-2-((2-methoxyethoxy)methylene)-5-methyl-3-(2-pyridinyl)-, 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-2-((2-methoxyethoxy)methylene)-5-methyl-3-(2-pyridinyl)-, 6,6-dioxide is 123253-03-2.
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-2-((2-methoxyethoxy)methylene)-5-methyl-3-(2-pyridinyl)-, 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-2-((2-methoxyethoxy)methylene)-5-methyl-3-(2-pyridinyl)-, 6,6-dioxide is C18H16ClN3O6S2.
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-2-((2-methoxyethoxy)methylene)-5-methyl-3-(2-pyridinyl)-, 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-2-((2-methoxyethoxy)methylene)-5-methyl-3-(2-pyridinyl)-, 6,6-dioxide is 469.02 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-2-((2-methoxyethoxy)methylene)-5-methyl-3-(2-pyridinyl)-, 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-2-((2-methoxyethoxy)methylene)-5-methyl-3-(2-pyridinyl)-, 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-2-((2-methoxyethoxy)methylene)-5-methyl-3-(2-pyridinyl)-, 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-2-((2-methoxyethoxy)methylene)-5-methyl-3-(2-pyridinyl)-, 6,6-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.