3,6-二氢-1,3-噻嗪-3,5-二甲酸
TL;DR: 3,6-二氢-1,3-噻嗪-3,5-二甲酸 (CAS 83711-67-5) is a chemical compound with molecular formula C12H9F6NO2 and molecular weight 313.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-二氢-1,3-噻嗪-3,5-二甲酸
N-(2,6-dimethylphenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide
Also Known As: 2,6-Dimethylaniline, N,N-di(trifluoroacetyl)-, 2,3-bis(3-oxooctanoyloxy)propyl 3-oxooctanoate, n-(2,6-dimethylphenyl)-2,2,2-trifluoro-n-(trifluoroacetyl)acetamide, N-(2,6-dimethylphenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide
| Molecular Formula | C12H9F6NO2 |
|---|---|
| Molecular Weight | 313.05 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 313.05374 |
| Heavy Atoms | 21 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 83711-67-5 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)N(C(=O)C(F)(F)F)C(=O)C(F)(F)F |
| InChIKey | KTBUMOJGBINWCO-UHFFFAOYSA-N |
Product Overview
3,6-二氢-1,3-噻嗪-3,5-二甲酸 (CAS 83711-67-5), with molecular formula C12H9F6NO2 and molecular weight 313.05 g/mol. IUPAC: N-(2,6-dimethylphenyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide.
Chemical Property Profile of 3,6-二氢-1,3-噻嗪-3,5-二甲酸
Property Insights of 3,6-二氢-1,3-噻嗪-3,5-二甲酸
The XLogP value of 4.0 indicates that 3,6-二氢-1,3-噻嗪-3,5-二甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.4 Ų, 3,6-二氢-1,3-噻嗪-3,5-二甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6-二氢-1,3-噻嗪-3,5-二甲酸 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 3,6-二氢-1,3-噻嗪-3,5-二甲酸?
The CAS number of 3,6-二氢-1,3-噻嗪-3,5-二甲酸 is 83711-67-5.
What is the molecular formula of 3,6-二氢-1,3-噻嗪-3,5-二甲酸?
The molecular formula of 3,6-二氢-1,3-噻嗪-3,5-二甲酸 is C12H9F6NO2.
What is the molecular weight of 3,6-二氢-1,3-噻嗪-3,5-二甲酸?
The molecular weight of 3,6-二氢-1,3-噻嗪-3,5-二甲酸 is 313.05 g/mol.
Where can I buy 3,6-二氢-1,3-噻嗪-3,5-二甲酸?
You can request a quote for 3,6-二氢-1,3-噻嗪-3,5-二甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-二氢-1,3-噻嗪-3,5-二甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3,6-二氢-1,3-噻嗪-3,5-二甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.