ChemDiv2_004459
TL;DR: ChemDiv2_004459 (CAS 448913-65-3) is a chemical compound with molecular formula C17H25N3O4S and molecular weight 367.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-cyclohexyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
Also Known As: ChemDiv2_004459, IDI1_003174, 2-((5-cyclohexyl-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide, 2-[(5-cyclohexyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(oxolan-2-ylmethyl)acetamide, 2-[(5-cyclohexyl-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-[(oxolan-2-yl)methyl]acetamide
| Molecular Formula | C17H25N3O4S |
|---|---|
| Molecular Weight | 367.16 g/mol |
| LogP | 1.9105 |
| Topological Polar Surface Area | 104.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 367.1566 |
| Heavy Atoms | 25 |
| Complexity | 651.7833 |
Chemical Identifiers
| CAS Number | 448913-65-3 |
|---|---|
| SMILES | C1CCC(CC1)C2=C(N=C(NC2=O)SCC(=O)NCC3CCCO3)O |
Product Overview
ChemDiv2_004459 (CAS 448913-65-3), with molecular formula C17H25N3O4S and molecular weight 367.16 g/mol. IUPAC: 2-[(5-cyclohexyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(oxolan-2-ylmethyl)acetamide.
Chemical Property Profile of ChemDiv2_004459
Property Insights of ChemDiv2_004459
The XLogP value of 1.9105 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_004459. The TPSA of 104.31 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004459. Following Lipinski's Rule of Five, ChemDiv2_004459 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 ChemDiv2_004459?
The CAS number of ChemDiv2_004459 is 448913-65-3.
What is the molecular formula of ChemDiv2_004459?
The molecular formula of ChemDiv2_004459 is C17H25N3O4S.
What is the molecular weight of ChemDiv2_004459?
The molecular weight of ChemDiv2_004459 is 367.16 g/mol.
Where can I buy ChemDiv2_004459?
You can request a quote for ChemDiv2_004459 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004459?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004459 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.