BRD-K88506733-001-08-3
TL;DR: BRD-K88506733-001-08-3 (CAS 587013-04-5) is a chemical compound with molecular formula C17H15N5O2S and molecular weight 353.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2,5-dimethoxyphenyl)-3-pyridin-4-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Also Known As: BRD-K88506733-001-08-3, 6-(2,5-dimethoxyphenyl)-3-(pyridin-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine, 6-(2,5-dimethoxyphenyl)-3-pyridin-4-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
| Molecular Formula | C17H15N5O2S |
|---|---|
| Molecular Weight | 353.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 99.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.09464 |
| Heavy Atoms | 25 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 587013-04-5 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)C2=NN3C(=NN=C3SC2)C4=CC=NC=C4 |
| InChIKey | HHZWEZVEBXTKQT-UHFFFAOYSA-N |
Product Overview
BRD-K88506733-001-08-3 (CAS 587013-04-5), with molecular formula C17H15N5O2S and molecular weight 353.09 g/mol. IUPAC: 6-(2,5-dimethoxyphenyl)-3-pyridin-4-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
Chemical Property Profile of BRD-K88506733-001-08-3
Property Insights of BRD-K88506733-001-08-3
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRD-K88506733-001-08-3. The TPSA of 99.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BRD-K88506733-001-08-3. Following Lipinski's Rule of Five, BRD-K88506733-001-08-3 has 0 hydrogen bond donor(s) and 7 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 BRD-K88506733-001-08-3?
The CAS number of BRD-K88506733-001-08-3 is 587013-04-5.
What is the molecular formula of BRD-K88506733-001-08-3?
The molecular formula of BRD-K88506733-001-08-3 is C17H15N5O2S.
What is the molecular weight of BRD-K88506733-001-08-3?
The molecular weight of BRD-K88506733-001-08-3 is 353.09 g/mol.
Where can I buy BRD-K88506733-001-08-3?
You can request a quote for BRD-K88506733-001-08-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-K88506733-001-08-3?
Yes, KEHONG BIO provides custom synthesis services for BRD-K88506733-001-08-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.