ChemDiv1_004898
TL;DR: ChemDiv1_004898 (CAS 6049-74-7) is a chemical compound with molecular formula C16H19N5O2S2 and molecular weight 377.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-imidazol-1-ylpropyl)acetamide
Also Known As: ChemDiv1_004898, BAS 02072566, BIM-0042662.P001, AF-399/14182004, 2-[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio]-N-[3-(1H-imidazol-1-yl)propyl]acetamide
| Molecular Formula | C16H19N5O2S2 |
|---|---|
| Molecular Weight | 377.10 g/mol |
| LogP | 2.09654 |
| Topological Polar Surface Area | 92.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 377.09802 |
| Heavy Atoms | 25 |
| Complexity | 930.04785 |
Chemical Identifiers
| CAS Number | 6049-74-7 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)NCCCN3C=CN=C3)C |
Product Overview
ChemDiv1_004898 (CAS 6049-74-7), with molecular formula C16H19N5O2S2 and molecular weight 377.10 g/mol. IUPAC: 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-imidazol-1-ylpropyl)acetamide.
Chemical Property Profile of ChemDiv1_004898
Property Insights of ChemDiv1_004898
The XLogP value of 2.09654 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_004898. The TPSA of 92.67 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004898. Following Lipinski's Rule of Five, ChemDiv1_004898 has 2 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 ChemDiv1_004898?
The CAS number of ChemDiv1_004898 is 6049-74-7.
What is the molecular formula of ChemDiv1_004898?
The molecular formula of ChemDiv1_004898 is C16H19N5O2S2.
What is the molecular weight of ChemDiv1_004898?
The molecular weight of ChemDiv1_004898 is 377.10 g/mol.
Where can I buy ChemDiv1_004898?
You can request a quote for ChemDiv1_004898 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004898?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004898 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.