Hexadecanoic acid, 2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl ester, S,S-dioxide
TL;DR: Hexadecanoic acid, 2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl ester, S,S-dioxide (CAS 123253-05-4) is a chemical compound with molecular formula C29H41N3O5S2 and molecular weight 575.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)thieno[2,3-e]thiazin-4-yl] hexadecanoate
Also Known As: Hexadecanoic acid, 2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl ester, S,S-dioxide, [2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)thieno[2,3-e]thiazin-4-yl] hexadecanoate, 2-Methyl-1,1-dioxo-3-[(pyridin-2-yl)carbamoyl]-1,2-dihydro-1lambda~6~-thieno[2,3-e][1,2]thiazin-4-yl hexadecanoate, RefChem:347457
| Molecular Formula | C29H41N3O5S2 |
|---|---|
| Molecular Weight | 575.25 g/mol |
| LogP | 7.109 |
| Topological Polar Surface Area | 105.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 17 |
| Exact Mass | 575.2488 |
| Heavy Atoms | 39 |
| Complexity | 1208.5211 |
Chemical Identifiers
| CAS Number | 123253-05-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OC1=C(N(S(=O)(=O)C2=C1SC=C2)C)C(=O)NC3=CC=CC=N3 |
Product Overview
Hexadecanoic acid, 2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl ester, S,S-dioxide (CAS 123253-05-4), with molecular formula C29H41N3O5S2 and molecular weight 575.25 g/mol. IUPAC: [2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)thieno[2,3-e]thiazin-4-yl] hexadecanoate.
Chemical Property Profile of Hexadecanoic acid, 2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl ester, S,S-dioxide
Property Insights of Hexadecanoic acid, 2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl ester, S,S-dioxide
The XLogP value of 7.109 indicates that Hexadecanoic acid, 2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl ester, S,S-dioxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexadecanoic acid, 2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl ester, S,S-dioxide. Following Lipinski's Rule of Five, Hexadecanoic acid, 2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl ester, S,S-dioxide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexadecanoic acid, 2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl ester, S,S-dioxide?
The CAS number of Hexadecanoic acid, 2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl ester, S,S-dioxide is 123253-05-4.
What is the molecular formula of Hexadecanoic acid, 2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl ester, S,S-dioxide?
The molecular formula of Hexadecanoic acid, 2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl ester, S,S-dioxide is C29H41N3O5S2.
What is the molecular weight of Hexadecanoic acid, 2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl ester, S,S-dioxide?
The molecular weight of Hexadecanoic acid, 2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl ester, S,S-dioxide is 575.25 g/mol.
Where can I buy Hexadecanoic acid, 2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl ester, S,S-dioxide?
You can request a quote for Hexadecanoic acid, 2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl ester, S,S-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexadecanoic acid, 2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl ester, S,S-dioxide?
Yes, KEHONG BIO provides custom synthesis services for Hexadecanoic acid, 2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl ester, S,S-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.