AB00668799-01
TL;DR: AB00668799-01 (CAS 687566-34-3) is a chemical compound with molecular formula C14H12BrN3O2S2 and molecular weight 396.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-bromophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
Also Known As: AB00668799-01, F0579-0748, 2-((3-(4-bromophenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide, 2-[[3-(4-bromophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide, 2-{[3-(4-bromophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
| Molecular Formula | C14H12BrN3O2S2 |
|---|---|
| Molecular Weight | 396.96 g/mol |
| LogP | 2.2206 |
| Topological Polar Surface Area | 77.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.95544 |
| Heavy Atoms | 22 |
| Complexity | 789.91034 |
Chemical Identifiers
| CAS Number | 687566-34-3 |
|---|---|
| SMILES | C1CSC2=C1N=C(N(C2=O)C3=CC=C(C=C3)Br)SCC(=O)N |
Product Overview
AB00668799-01 (CAS 687566-34-3), with molecular formula C14H12BrN3O2S2 and molecular weight 396.96 g/mol. IUPAC: 2-[[3-(4-bromophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide.
Chemical Property Profile of AB00668799-01
Property Insights of AB00668799-01
The XLogP value of 2.2206 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00668799-01. The TPSA of 77.98 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00668799-01. Following Lipinski's Rule of Five, AB00668799-01 has 1 hydrogen bond donor(s) and 5 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 AB00668799-01?
The CAS number of AB00668799-01 is 687566-34-3.
What is the molecular formula of AB00668799-01?
The molecular formula of AB00668799-01 is C14H12BrN3O2S2.
What is the molecular weight of AB00668799-01?
The molecular weight of AB00668799-01 is 396.96 g/mol.
Where can I buy AB00668799-01?
You can request a quote for AB00668799-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668799-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668799-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.