ChemDiv1_004828
TL;DR: ChemDiv1_004828 (CAS 307546-01-6) is a chemical compound with molecular formula C18H19N3O3S2 and molecular weight 389.09 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-(furan-2-ylmethyl)acetamide
Also Known As: ChemDiv1_004828, BAS 02072463, 2-((3-allyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(furan-2-ylmethyl)acetamide, AF-399/14425102, 2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
| Molecular Formula | C18H19N3O3S2 |
|---|---|
| Molecular Weight | 389.09 g/mol |
| LogP | 3.26234 |
| Topological Polar Surface Area | 77.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 389.0868 |
| Heavy Atoms | 26 |
| Complexity | 1003.02527 |
Chemical Identifiers
| CAS Number | 307546-01-6 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NCC3=CC=CO3)CC=C)C |
Product Overview
ChemDiv1_004828 (CAS 307546-01-6), with molecular formula C18H19N3O3S2 and molecular weight 389.09 g/mol. IUPAC: 2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide.
Chemical Property Profile of ChemDiv1_004828
Property Insights of ChemDiv1_004828
The XLogP value of 3.26234 indicates that ChemDiv1_004828 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.13 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004828. Following Lipinski's Rule of Five, ChemDiv1_004828 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_004828?
The CAS number of ChemDiv1_004828 is 307546-01-6.
What is the molecular formula of ChemDiv1_004828?
The molecular formula of ChemDiv1_004828 is C18H19N3O3S2.
What is the molecular weight of ChemDiv1_004828?
The molecular weight of ChemDiv1_004828 is 389.09 g/mol.
Where can I buy ChemDiv1_004828?
You can request a quote for ChemDiv1_004828 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004828?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004828 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.