BRD-K89734374-001-06-8
TL;DR: BRD-K89734374-001-06-8 (CAS 847375-71-7) is a chemical compound with molecular formula C19H19N5O4S and molecular weight 413.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-6-[(E)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: BRD-K89734374-001-06-8, (E)-6-(3,4-dihydroxybenzylidene)-5-imino-2-(2-oxo-2-(piperidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, 2-hydroxy-4-[(E)-{5-iminio-7-oxo-2-[2-oxo-2-(piperidin-1-yl)ethyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene}methyl]phenolate, 5-amino-6-[(E)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C19H19N5O4S |
|---|---|
| Molecular Weight | 413.12 g/mol |
| LogP | 1.2524 |
| Topological Polar Surface Area | 130.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 413.11578 |
| Heavy Atoms | 29 |
| Complexity | 1151.2915 |
Chemical Identifiers
| CAS Number | 847375-71-7 |
|---|---|
| SMILES | C1CCN(CC1)C(=O)CC2=NN3C(=C(C(=O)N=C3S2)/C=C/4\C=CC(=O)C(=C4)O)N |
Product Overview
BRD-K89734374-001-06-8 (CAS 847375-71-7), with molecular formula C19H19N5O4S and molecular weight 413.12 g/mol. IUPAC: 5-amino-6-[(E)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of BRD-K89734374-001-06-8
Property Insights of BRD-K89734374-001-06-8
The XLogP value of 1.2524 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRD-K89734374-001-06-8. The TPSA of 130.89 Ų falls within the moderate polarity range, balancing permeability and solubility for BRD-K89734374-001-06-8. Following Lipinski's Rule of Five, BRD-K89734374-001-06-8 has 2 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 BRD-K89734374-001-06-8?
The CAS number of BRD-K89734374-001-06-8 is 847375-71-7.
What is the molecular formula of BRD-K89734374-001-06-8?
The molecular formula of BRD-K89734374-001-06-8 is C19H19N5O4S.
What is the molecular weight of BRD-K89734374-001-06-8?
The molecular weight of BRD-K89734374-001-06-8 is 413.12 g/mol.
Where can I buy BRD-K89734374-001-06-8?
You can request a quote for BRD-K89734374-001-06-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-K89734374-001-06-8?
Yes, KEHONG BIO provides custom synthesis services for BRD-K89734374-001-06-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.