2H-1,3-Thiazine-6-carboxylic acid, 3,4-dihydro-3-isopropyl-2-(isopropylimino)-4-oxo-, methyl ester
TL;DR: 2H-1,3-Thiazine-6-carboxylic acid, 3,4-dihydro-3-isopropyl-2-(isopropylimino)-4-oxo-, methyl ester (CAS 16238-36-1) is a chemical compound with molecular formula C12H18N2O3S and molecular weight 270.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazine-6-carboxylate
Also Known As: 2H-1,3-Thiazine-6-carboxylic acid, 3,4-dihydro-3-isopropyl-2-(isopropylimino)-4-oxo-, methyl ester, methyl 4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazine-6-carboxylate, 3,4-Dihydro-3-isopropyl-2-(isopropylimino)-4-oxo-2H-1,3-thiazine-6-carboxylic acid methyl ester, Methyl (2Z)-3-isopropyl-2-([(Z)-1-methylethyl]imino)-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate #, Methyl (2Z)-4-oxo-3-(propan-2-yl)-2-[(propan-2-yl)imino]-3,4-dihydro-2H-1,3-thiazine-6-carboxylate
| Molecular Formula | C12H18N2O3S |
|---|---|
| Molecular Weight | 270.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 84.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 270.10382 |
| Heavy Atoms | 18 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 16238-36-1 |
|---|---|
| SMILES | CC(C)N=C1N(C(=O)C=C(S1)C(=O)OC)C(C)C |
| InChIKey | PGLGOLRYTOYVGX-UHFFFAOYSA-N |
Product Overview
2H-1,3-Thiazine-6-carboxylic acid, 3,4-dihydro-3-isopropyl-2-(isopropylimino)-4-oxo-, methyl ester (CAS 16238-36-1), with molecular formula C12H18N2O3S and molecular weight 270.10 g/mol. IUPAC: methyl 4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazine-6-carboxylate.
Chemical Property Profile of 2H-1,3-Thiazine-6-carboxylic acid, 3,4-dihydro-3-isopropyl-2-(isopropylimino)-4-oxo-, methyl ester
Property Insights of 2H-1,3-Thiazine-6-carboxylic acid, 3,4-dihydro-3-isopropyl-2-(isopropylimino)-4-oxo-, methyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,3-Thiazine-6-carboxylic acid, 3,4-dihydro-3-isopropyl-2-(isopropylimino)-4-oxo-, methyl ester. The TPSA of 84.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1,3-Thiazine-6-carboxylic acid, 3,4-dihydro-3-isopropyl-2-(isopropylimino)-4-oxo-, methyl ester. Following Lipinski's Rule of Five, 2H-1,3-Thiazine-6-carboxylic acid, 3,4-dihydro-3-isopropyl-2-(isopropylimino)-4-oxo-, methyl ester has 0 hydrogen bond donor(s) and 5 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 2H-1,3-Thiazine-6-carboxylic acid, 3,4-dihydro-3-isopropyl-2-(isopropylimino)-4-oxo-, methyl ester?
The CAS number of 2H-1,3-Thiazine-6-carboxylic acid, 3,4-dihydro-3-isopropyl-2-(isopropylimino)-4-oxo-, methyl ester is 16238-36-1.
What is the molecular formula of 2H-1,3-Thiazine-6-carboxylic acid, 3,4-dihydro-3-isopropyl-2-(isopropylimino)-4-oxo-, methyl ester?
The molecular formula of 2H-1,3-Thiazine-6-carboxylic acid, 3,4-dihydro-3-isopropyl-2-(isopropylimino)-4-oxo-, methyl ester is C12H18N2O3S.
What is the molecular weight of 2H-1,3-Thiazine-6-carboxylic acid, 3,4-dihydro-3-isopropyl-2-(isopropylimino)-4-oxo-, methyl ester?
The molecular weight of 2H-1,3-Thiazine-6-carboxylic acid, 3,4-dihydro-3-isopropyl-2-(isopropylimino)-4-oxo-, methyl ester is 270.10 g/mol.
Where can I buy 2H-1,3-Thiazine-6-carboxylic acid, 3,4-dihydro-3-isopropyl-2-(isopropylimino)-4-oxo-, methyl ester?
You can request a quote for 2H-1,3-Thiazine-6-carboxylic acid, 3,4-dihydro-3-isopropyl-2-(isopropylimino)-4-oxo-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,3-Thiazine-6-carboxylic acid, 3,4-dihydro-3-isopropyl-2-(isopropylimino)-4-oxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,3-Thiazine-6-carboxylic acid, 3,4-dihydro-3-isopropyl-2-(isopropylimino)-4-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.