ChemDiv1_004876
TL;DR: ChemDiv1_004876 (CAS 325693-44-5) is a chemical compound with molecular formula C17H21N3O3S2 and molecular weight 379.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
Also Known As: ChemDiv1_004876, BAS 02072498, BIM-0049663.P001, AF-399/14425120, 3-allyl-5,6-dimethyl-2-((2-morpholino-2-oxoethyl)thio)thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C17H21N3O3S2 |
|---|---|
| Molecular Weight | 379.10 g/mol |
| LogP | 2.21174 |
| Topological Polar Surface Area | 64.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.10245 |
| Heavy Atoms | 25 |
| Complexity | 866.12573 |
Chemical Identifiers
| CAS Number | 325693-44-5 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N3CCOCC3)CC=C)C |
Product Overview
ChemDiv1_004876 (CAS 325693-44-5), with molecular formula C17H21N3O3S2 and molecular weight 379.10 g/mol. IUPAC: 5,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of ChemDiv1_004876
Property Insights of ChemDiv1_004876
The XLogP value of 2.21174 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_004876. The TPSA of 64.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004876. Following Lipinski's Rule of Five, ChemDiv1_004876 has 0 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_004876?
The CAS number of ChemDiv1_004876 is 325693-44-5.
What is the molecular formula of ChemDiv1_004876?
The molecular formula of ChemDiv1_004876 is C17H21N3O3S2.
What is the molecular weight of ChemDiv1_004876?
The molecular weight of ChemDiv1_004876 is 379.10 g/mol.
Where can I buy ChemDiv1_004876?
You can request a quote for ChemDiv1_004876 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004876?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004876 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.