ChemDiv3_007973
TL;DR: ChemDiv3_007973 (CAS 686772-45-2) is a chemical compound with molecular formula C21H21N3O4S2 and molecular weight 443.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
Also Known As: ChemDiv3_007973, IDI1_025883, BRD-K37732509-001-01-4, 2-{[3-(4-ethoxyphenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide, 2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
| Molecular Formula | C21H21N3O4S2 |
|---|---|
| Molecular Weight | 443.10 g/mol |
| LogP | 3.2809 |
| Topological Polar Surface Area | 86.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 443.09735 |
| Heavy Atoms | 30 |
| Complexity | 1078.8761 |
Chemical Identifiers
| CAS Number | 686772-45-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3=C(CCS3)N=C2SCC(=O)NCC4=CC=CO4 |
Product Overview
ChemDiv3_007973 (CAS 686772-45-2), with molecular formula C21H21N3O4S2 and molecular weight 443.10 g/mol. IUPAC: 2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide.
Chemical Property Profile of ChemDiv3_007973
Property Insights of ChemDiv3_007973
The XLogP value of 3.2809 indicates that ChemDiv3_007973 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.36 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_007973. Following Lipinski's Rule of Five, ChemDiv3_007973 has 1 hydrogen bond donor(s) and 7 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_007973?
The CAS number of ChemDiv3_007973 is 686772-45-2.
What is the molecular formula of ChemDiv3_007973?
The molecular formula of ChemDiv3_007973 is C21H21N3O4S2.
What is the molecular weight of ChemDiv3_007973?
The molecular weight of ChemDiv3_007973 is 443.10 g/mol.
Where can I buy ChemDiv3_007973?
You can request a quote for ChemDiv3_007973 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_007973?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_007973 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.