BRD-K01950132-001-09-2
TL;DR: BRD-K01950132-001-09-2 (CAS 573694-52-7) is a chemical compound with molecular formula C17H14N4O3S and molecular weight 354.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzene-1,2-diol
Also Known As: BRD-K01950132-001-09-2, 4-[3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzene-1,2-diol, (4E)-2-hydroxy-4-[3-(2-methoxyphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ylidene]cyclohexa-2,5-dien-1-one, 4-[3-(2-methoxyphenyl)-7H-1,2,4-triazolo[3,4-b]1,3,4-thiadiazin-6-yl]benzene-1 ,2-diol, (4E)-2-hydroxy-4-[3-(2-methoxyphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ylidene]-1-cyclohexa-2,5-dienone
| Molecular Formula | C17H14N4O3S |
|---|---|
| Molecular Weight | 354.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.07867 |
| Heavy Atoms | 25 |
| Complexity | 508.0 |
Chemical Identifiers
| CAS Number | 573694-52-7 |
|---|---|
| SMILES | COC1=CC=CC=C1C2=NN=C3N2N=C(CS3)C4=CC(=C(C=C4)O)O |
| InChIKey | PKVPLCVGALGTGK-UHFFFAOYSA-N |
Product Overview
BRD-K01950132-001-09-2 (CAS 573694-52-7), with molecular formula C17H14N4O3S and molecular weight 354.08 g/mol. IUPAC: 4-[3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzene-1,2-diol.
Chemical Property Profile of BRD-K01950132-001-09-2
Property Insights of BRD-K01950132-001-09-2
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRD-K01950132-001-09-2. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BRD-K01950132-001-09-2. Following Lipinski's Rule of Five, BRD-K01950132-001-09-2 has 2 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-K01950132-001-09-2?
The CAS number of BRD-K01950132-001-09-2 is 573694-52-7.
What is the molecular formula of BRD-K01950132-001-09-2?
The molecular formula of BRD-K01950132-001-09-2 is C17H14N4O3S.
What is the molecular weight of BRD-K01950132-001-09-2?
The molecular weight of BRD-K01950132-001-09-2 is 354.08 g/mol.
Where can I buy BRD-K01950132-001-09-2?
You can request a quote for BRD-K01950132-001-09-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-K01950132-001-09-2?
Yes, KEHONG BIO provides custom synthesis services for BRD-K01950132-001-09-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.