AB00684519-01
TL;DR: AB00684519-01 (CAS 687567-89-1) is a chemical compound with molecular formula C17H14N6O4S3 and molecular weight 462.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[[3-(4-nitrophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
Also Known As: AB00684519-01, F0579-0812, N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-{[3-(4-nitrophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide, N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-((3-(4-nitrophenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide, N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[[3-(4-nitrophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
| Molecular Formula | C17H14N6O4S3 |
|---|---|
| Molecular Weight | 462.02 g/mol |
| LogP | 2.67962 |
| Topological Polar Surface Area | 132.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.02386 |
| Heavy Atoms | 30 |
| Complexity | 1191.1945 |
Chemical Identifiers
| CAS Number | 687567-89-1 |
|---|---|
| SMILES | CC1=NN=C(S1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-])SCC3 |
Product Overview
AB00684519-01 (CAS 687567-89-1), with molecular formula C17H14N6O4S3 and molecular weight 462.02 g/mol. IUPAC: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[[3-(4-nitrophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide.
Chemical Property Profile of AB00684519-01
Property Insights of AB00684519-01
The XLogP value of 2.67962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00684519-01. The TPSA of 132.91 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684519-01. Following Lipinski's Rule of Five, AB00684519-01 has 1 hydrogen bond donor(s) and 10 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 AB00684519-01?
The CAS number of AB00684519-01 is 687567-89-1.
What is the molecular formula of AB00684519-01?
The molecular formula of AB00684519-01 is C17H14N6O4S3.
What is the molecular weight of AB00684519-01?
The molecular weight of AB00684519-01 is 462.02 g/mol.
Where can I buy AB00684519-01?
You can request a quote for AB00684519-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684519-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684519-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.