ChemDiv1_004872
TL;DR: ChemDiv1_004872 (CAS 325693-25-2) is a chemical compound with molecular formula C19H20N4O2S2 and molecular weight 400.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(pyridin-3-ylmethyl)acetamide
Also Known As: ChemDiv1_004872, BAS 02072464, BIM-0046352.P001, AB00685139-01, AF-399/14425104
| Molecular Formula | C19H20N4O2S2 |
|---|---|
| Molecular Weight | 400.10 g/mol |
| LogP | 3.06434 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 400.10278 |
| Heavy Atoms | 27 |
| Complexity | 1041.2845 |
Chemical Identifiers
| CAS Number | 325693-25-2 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NCC3=CN=CC=C3)CC=C)C |
Product Overview
ChemDiv1_004872 (CAS 325693-25-2), with molecular formula C19H20N4O2S2 and molecular weight 400.10 g/mol. IUPAC: 2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(pyridin-3-ylmethyl)acetamide.
Chemical Property Profile of ChemDiv1_004872
Property Insights of ChemDiv1_004872
The XLogP value of 3.06434 indicates that ChemDiv1_004872 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.88 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004872. Following Lipinski's Rule of Five, ChemDiv1_004872 has 1 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_004872?
The CAS number of ChemDiv1_004872 is 325693-25-2.
What is the molecular formula of ChemDiv1_004872?
The molecular formula of ChemDiv1_004872 is C19H20N4O2S2.
What is the molecular weight of ChemDiv1_004872?
The molecular weight of ChemDiv1_004872 is 400.10 g/mol.
Where can I buy ChemDiv1_004872?
You can request a quote for ChemDiv1_004872 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004872?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004872 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.