AB00439406-03
TL;DR: AB00439406-03 (CAS 687563-80-0) is a chemical compound with molecular formula C19H16ClN3O3S2 and molecular weight 433.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-chlorophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
Also Known As: AB00439406-03, F0579-0634, 2-[[3-(4-chlorophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide, 2-{[3-(4-chlorophenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]thio}-N-(2-furylmethyl)acetamide, 2-{[3-(4-chlorophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide
| Molecular Formula | C19H16ClN3O3S2 |
|---|---|
| Molecular Weight | 433.03 g/mol |
| LogP | 3.5356 |
| Topological Polar Surface Area | 77.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 433.03217 |
| Heavy Atoms | 28 |
| Complexity | 1049.531 |
Chemical Identifiers
| CAS Number | 687563-80-0 |
|---|---|
| SMILES | C1CSC2=C1N=C(N(C2=O)C3=CC=C(C=C3)Cl)SCC(=O)NCC4=CC=CO4 |
Product Overview
AB00439406-03 (CAS 687563-80-0), with molecular formula C19H16ClN3O3S2 and molecular weight 433.03 g/mol. IUPAC: 2-[[3-(4-chlorophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide.
Chemical Property Profile of AB00439406-03
Property Insights of AB00439406-03
The XLogP value of 3.5356 indicates that AB00439406-03 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 AB00439406-03. Following Lipinski's Rule of Five, AB00439406-03 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 AB00439406-03?
The CAS number of AB00439406-03 is 687563-80-0.
What is the molecular formula of AB00439406-03?
The molecular formula of AB00439406-03 is C19H16ClN3O3S2.
What is the molecular weight of AB00439406-03?
The molecular weight of AB00439406-03 is 433.03 g/mol.
Where can I buy AB00439406-03?
You can request a quote for AB00439406-03 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00439406-03?
Yes, KEHONG BIO provides custom synthesis services for AB00439406-03 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.