DONETIDINE
TL;DR: DONETIDINE (CAS 99248-32-5) is a chemical compound with molecular formula C20H25N5O3S and molecular weight 415.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylamino]-5-[(2-oxo-1H-pyridin-3-yl)methyl]-1H-pyrimidin-6-one
Also Known As: 2-({2-[({5-[(Dimethylamino)methyl]furan-2-yl}methyl)sulfanyl]ethyl}amino)-5-[(2-oxo-1,2-dihydropyridin-3-yl)methyl]pyrimidin-4(1H)-one, 2-({2-[({5-[(Dimethylamino)methyl]furan-2-yl}methyl)sulfanyl]ethyl}imino)-5-[(2-hydroxypyridin-3-yl)methyl]-1,2-dihydropyrimidin-4-ol, 2-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethylamino]-5-[(2-oxo-1H-pyridin-3-yl)methyl]-1H-pyrimidin-6-one
| Molecular Formula | C20H25N5O3S |
|---|---|
| Molecular Weight | 415.17 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 415.16782 |
| Heavy Atoms | 29 |
| Complexity | 744.0 |
Chemical Identifiers
| CAS Number | 99248-32-5 |
|---|---|
| SMILES | CN(C)CC1=CC=C(O1)CSCCNC2=NC=C(C(=O)N2)CC3=CC=CNC3=O |
| InChIKey | ZZHPEHZVLGBGAK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
DONETIDINE (CAS 99248-32-5), with molecular formula C20H25N5O3S and molecular weight 415.17 g/mol. IUPAC: 2-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylamino]-5-[(2-oxo-1H-pyridin-3-yl)methyl]-1H-pyrimidin-6-one.
Chemical Property Profile of DONETIDINE
Property Insights of DONETIDINE
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for DONETIDINE. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for DONETIDINE. Following Lipinski's Rule of Five, DONETIDINE has 3 hydrogen bond donor(s) and 6 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 DONETIDINE?
The CAS number of DONETIDINE is 99248-32-5.
What is the molecular formula of DONETIDINE?
The molecular formula of DONETIDINE is C20H25N5O3S.
What is the molecular weight of DONETIDINE?
The molecular weight of DONETIDINE is 415.17 g/mol.
Where can I buy DONETIDINE?
You can request a quote for DONETIDINE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DONETIDINE?
Yes, KEHONG BIO provides custom synthesis services for DONETIDINE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.