(2-Methyl-1,1-dioxothiazinan-6-ylidene)-phenylmethanamine
TL;DR: (2-Methyl-1,1-dioxothiazinan-6-ylidene)-phenylmethanamine (CAS 54531-92-9) is a chemical compound with molecular formula C12H16N2O2S and molecular weight 252.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-1,1-dioxothiazinan-6-ylidene)-phenylmethanamine
Also Known As: (2-methyl-1,1-dioxothiazinan-6-ylidene)-phenylmethanamine, (Z)-(2-methyl-1,1-dioxido-1,2-thiazinan-6-ylidene)(phenyl)methanamine
| Molecular Formula | C12H16N2O2S |
|---|---|
| Molecular Weight | 252.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 252.09325 |
| Heavy Atoms | 17 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 54531-92-9 |
|---|---|
| SMILES | CN1CCCC(=C(C2=CC=CC=C2)N)S1(=O)=O |
| InChIKey | BLMBWHGLVWYUHP-UHFFFAOYSA-N |
Product Overview
(2-Methyl-1,1-dioxothiazinan-6-ylidene)-phenylmethanamine (CAS 54531-92-9), with molecular formula C12H16N2O2S and molecular weight 252.09 g/mol. IUPAC: (2-methyl-1,1-dioxothiazinan-6-ylidene)-phenylmethanamine.
Chemical Property Profile of (2-Methyl-1,1-dioxothiazinan-6-ylidene)-phenylmethanamine
Property Insights of (2-Methyl-1,1-dioxothiazinan-6-ylidene)-phenylmethanamine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Methyl-1,1-dioxothiazinan-6-ylidene)-phenylmethanamine. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Methyl-1,1-dioxothiazinan-6-ylidene)-phenylmethanamine. Following Lipinski's Rule of Five, (2-Methyl-1,1-dioxothiazinan-6-ylidene)-phenylmethanamine has 1 hydrogen bond donor(s) and 4 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 (2-Methyl-1,1-dioxothiazinan-6-ylidene)-phenylmethanamine?
The CAS number of (2-Methyl-1,1-dioxothiazinan-6-ylidene)-phenylmethanamine is 54531-92-9.
What is the molecular formula of (2-Methyl-1,1-dioxothiazinan-6-ylidene)-phenylmethanamine?
The molecular formula of (2-Methyl-1,1-dioxothiazinan-6-ylidene)-phenylmethanamine is C12H16N2O2S.
What is the molecular weight of (2-Methyl-1,1-dioxothiazinan-6-ylidene)-phenylmethanamine?
The molecular weight of (2-Methyl-1,1-dioxothiazinan-6-ylidene)-phenylmethanamine is 252.09 g/mol.
Where can I buy (2-Methyl-1,1-dioxothiazinan-6-ylidene)-phenylmethanamine?
You can request a quote for (2-Methyl-1,1-dioxothiazinan-6-ylidene)-phenylmethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Methyl-1,1-dioxothiazinan-6-ylidene)-phenylmethanamine?
Yes, KEHONG BIO provides custom synthesis services for (2-Methyl-1,1-dioxothiazinan-6-ylidene)-phenylmethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.