BRD-K39908242-001-01-0
TL;DR: BRD-K39908242-001-01-0 (CAS 903465-98-5) is a chemical compound with molecular formula C18H17N7O2S and molecular weight 395.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,6-dimethylpyrimidin-2-yl)-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
Also Known As: BRD-K39908242-001-01-0, 2-(4,6-dimethylpyrimidin-2-yl)-6-{[(4-methylpyrimidin-2-yl)thio]methyl}-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione, 2-(4,6-dimethylpyrimidin-2-yl)-4-hydroxy-6-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one, 2-(4,6-dimethylpyrimidin-2-yl)-6-(((4-methylpyrimidin-2-yl)thio)methyl)-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione, 2-(4,6-dimethylpyrimidin-2-yl)-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
| Molecular Formula | C18H17N7O2S |
|---|---|
| Molecular Weight | 395.12 g/mol |
| LogP | 1.80466 |
| Topological Polar Surface Area | 122.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.11646 |
| Heavy Atoms | 28 |
| Complexity | 1285.271 |
Chemical Identifiers
| CAS Number | 903465-98-5 |
|---|---|
| SMILES | CC1=NC(=NC=C1)SCC2=CC(=O)C3=C(N2)NN(C3=O)C4=NC(=CC(=N4)C)C |
Product Overview
BRD-K39908242-001-01-0 (CAS 903465-98-5), with molecular formula C18H17N7O2S and molecular weight 395.12 g/mol. IUPAC: 2-(4,6-dimethylpyrimidin-2-yl)-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione.
Chemical Property Profile of BRD-K39908242-001-01-0
Property Insights of BRD-K39908242-001-01-0
The XLogP value of 1.80466 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRD-K39908242-001-01-0. The TPSA of 122.21 Ų falls within the moderate polarity range, balancing permeability and solubility for BRD-K39908242-001-01-0. Following Lipinski's Rule of Five, BRD-K39908242-001-01-0 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-K39908242-001-01-0?
The CAS number of BRD-K39908242-001-01-0 is 903465-98-5.
What is the molecular formula of BRD-K39908242-001-01-0?
The molecular formula of BRD-K39908242-001-01-0 is C18H17N7O2S.
What is the molecular weight of BRD-K39908242-001-01-0?
The molecular weight of BRD-K39908242-001-01-0 is 395.12 g/mol.
Where can I buy BRD-K39908242-001-01-0?
You can request a quote for BRD-K39908242-001-01-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-K39908242-001-01-0?
Yes, KEHONG BIO provides custom synthesis services for BRD-K39908242-001-01-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.