ChemDiv3_008799
TL;DR: ChemDiv3_008799 (CAS 689262-91-7) is a chemical compound with molecular formula C21H21N3O3S2 and molecular weight 427.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-benzyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
Also Known As: ChemDiv3_008799, IDI1_026709, AB00433330-09, BRD-A02010373-001-01-1, 2-((3-benzyl-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(furan-2-ylmethyl)acetamide
| Molecular Formula | C21H21N3O3S2 |
|---|---|
| Molecular Weight | 427.10 g/mol |
| LogP | 3.3298 |
| Topological Polar Surface Area | 77.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 427.10245 |
| Heavy Atoms | 29 |
| Complexity | 1049.0333 |
Chemical Identifiers
| CAS Number | 689262-91-7 |
|---|---|
| SMILES | CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)NCC3=CC=CO3)CC4=CC=CC=C4 |
Product Overview
ChemDiv3_008799 (CAS 689262-91-7), with molecular formula C21H21N3O3S2 and molecular weight 427.10 g/mol. IUPAC: 2-[(3-benzyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide.
Chemical Property Profile of ChemDiv3_008799
Property Insights of ChemDiv3_008799
The XLogP value of 3.3298 indicates that ChemDiv3_008799 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 ChemDiv3_008799. Following Lipinski's Rule of Five, ChemDiv3_008799 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 ChemDiv3_008799?
The CAS number of ChemDiv3_008799 is 689262-91-7.
What is the molecular formula of ChemDiv3_008799?
The molecular formula of ChemDiv3_008799 is C21H21N3O3S2.
What is the molecular weight of ChemDiv3_008799?
The molecular weight of ChemDiv3_008799 is 427.10 g/mol.
Where can I buy ChemDiv3_008799?
You can request a quote for ChemDiv3_008799 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_008799?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_008799 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.