BAS 00728311
TL;DR: BAS 00728311 (CAS 345987-08-8) is a chemical compound with molecular formula C26H24N4O4S2 and molecular weight 520.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(7-ethyl-4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide
Also Known As: BAS 00728311, A2810/0118830, 2-[(7-ethyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide, 2-((7-ethyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(3-nitrophenyl)acetamide, 2-[(7-ethyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)thio]-N-(3-nitrophenyl)acetamide
| Molecular Formula | C26H24N4O4S2 |
|---|---|
| Molecular Weight | 520.12 g/mol |
| LogP | 5.6011 |
| Topological Polar Surface Area | 107.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 520.1239 |
| Heavy Atoms | 36 |
| Complexity | 1513.9053 |
Chemical Identifiers
| CAS Number | 345987-08-8 |
|---|---|
| SMILES | CCC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5 |
Product Overview
BAS 00728311 (CAS 345987-08-8), with molecular formula C26H24N4O4S2 and molecular weight 520.12 g/mol. IUPAC: 2-[(7-ethyl-4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide.
Chemical Property Profile of BAS 00728311
Property Insights of BAS 00728311
The XLogP value of 5.6011 indicates that BAS 00728311 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.13 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00728311. Following Lipinski's Rule of Five, BAS 00728311 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00728311?
The CAS number of BAS 00728311 is 345987-08-8.
What is the molecular formula of BAS 00728311?
The molecular formula of BAS 00728311 is C26H24N4O4S2.
What is the molecular weight of BAS 00728311?
The molecular weight of BAS 00728311 is 520.12 g/mol.
Where can I buy BAS 00728311?
You can request a quote for BAS 00728311 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00728311?
Yes, KEHONG BIO provides custom synthesis services for BAS 00728311 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.