1,1,7-trimethylolheptane
TL;DR: 1,1,7-trimethylolheptane (CAS 126598-34-3) is a chemical compound with molecular formula C15H16N4O5S and molecular weight 364.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-ethoxy-3,5-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-6-carboxylic acid
Also Known As: 1,1,7-trimethylolheptane, 7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-6-carboxylic acid, 3-(3,5-dimethoxy-4-ethoxyphenyl)-, 3-(4-ethoxy-3,5-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-6-carboxylic acid, 7H-1,2,4-Triazolo[3,4-b][1,3,4]thiadiazine-6-carboxylicacid, 3-(4-ethoxy-3,5-dimethoxyphenyl)-, RefChem:311339
| Molecular Formula | C15H16N4O5S |
|---|---|
| Molecular Weight | 364.08 g/mol |
| LogP | 1.7554 |
| Topological Polar Surface Area | 108.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 364.08414 |
| Heavy Atoms | 25 |
| Complexity | 823.4375 |
Chemical Identifiers
| CAS Number | 126598-34-3 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1OC)C2=NN=C3N2N=C(CS3)C(=O)O)OC |
Product Overview
1,1,7-trimethylolheptane (CAS 126598-34-3), with molecular formula C15H16N4O5S and molecular weight 364.08 g/mol. IUPAC: 3-(4-ethoxy-3,5-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-6-carboxylic acid.
Chemical Property Profile of 1,1,7-trimethylolheptane
Property Insights of 1,1,7-trimethylolheptane
The XLogP value of 1.7554 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,7-trimethylolheptane. The TPSA of 108.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1,7-trimethylolheptane. Following Lipinski's Rule of Five, 1,1,7-trimethylolheptane has 1 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 1,1,7-trimethylolheptane?
The CAS number of 1,1,7-trimethylolheptane is 126598-34-3.
What is the molecular formula of 1,1,7-trimethylolheptane?
The molecular formula of 1,1,7-trimethylolheptane is C15H16N4O5S.
What is the molecular weight of 1,1,7-trimethylolheptane?
The molecular weight of 1,1,7-trimethylolheptane is 364.08 g/mol.
Where can I buy 1,1,7-trimethylolheptane?
You can request a quote for 1,1,7-trimethylolheptane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,7-trimethylolheptane?
Yes, KEHONG BIO provides custom synthesis services for 1,1,7-trimethylolheptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.