AB00684510-01
TL;DR: AB00684510-01 (CAS 686772-33-8) is a chemical compound with molecular formula C20H21N5O3S3 and molecular weight 475.08 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-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
Also Known As: AB00684510-01, F0579-0413, 2-((3-(4-ethoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide, 2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide, 2-{[3-(4-ethoxyphenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
| Molecular Formula | C20H21N5O3S3 |
|---|---|
| Molecular Weight | 475.08 g/mol |
| LogP | 3.4241 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 475.08066 |
| Heavy Atoms | 31 |
| Complexity | 1143.9525 |
Chemical Identifiers
| CAS Number | 686772-33-8 |
|---|---|
| SMILES | CCC1=NN=C(S1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)OCC)SCC3 |
Product Overview
AB00684510-01 (CAS 686772-33-8), with molecular formula C20H21N5O3S3 and molecular weight 475.08 g/mol. IUPAC: 2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.
Chemical Property Profile of AB00684510-01
Property Insights of AB00684510-01
The XLogP value of 3.4241 indicates that AB00684510-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684510-01. Following Lipinski's Rule of Five, AB00684510-01 has 1 hydrogen bond donor(s) and 9 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 AB00684510-01?
The CAS number of AB00684510-01 is 686772-33-8.
What is the molecular formula of AB00684510-01?
The molecular formula of AB00684510-01 is C20H21N5O3S3.
What is the molecular weight of AB00684510-01?
The molecular weight of AB00684510-01 is 475.08 g/mol.
Where can I buy AB00684510-01?
You can request a quote for AB00684510-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684510-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684510-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.