BAS 00728702
TL;DR: BAS 00728702 (CAS 331982-00-4) is a chemical compound with molecular formula C28H29N3O2S2 and molecular weight 503.17 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-(1-phenylethyl)acetamide
Also Known As: BAS 00728702, 2-[(7-ethyl-4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide, 2-[(7-ethyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(1-phenylethyl)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-(1-phenylethyl)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-(1-phenylethyl)acetamide
| Molecular Formula | C28H29N3O2S2 |
|---|---|
| Molecular Weight | 503.17 g/mol |
| LogP | 5.9316 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 503.1701 |
| Heavy Atoms | 35 |
| Complexity | 1396.7474 |
Chemical Identifiers
| CAS Number | 331982-00-4 |
|---|---|
| SMILES | CCC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)NC(C)C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
BAS 00728702 (CAS 331982-00-4), with molecular formula C28H29N3O2S2 and molecular weight 503.17 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-(1-phenylethyl)acetamide.
Chemical Property Profile of BAS 00728702
Property Insights of BAS 00728702
The XLogP value of 5.9316 indicates that BAS 00728702 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00728702. Following Lipinski's Rule of Five, BAS 00728702 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00728702?
The CAS number of BAS 00728702 is 331982-00-4.
What is the molecular formula of BAS 00728702?
The molecular formula of BAS 00728702 is C28H29N3O2S2.
What is the molecular weight of BAS 00728702?
The molecular weight of BAS 00728702 is 503.17 g/mol.
Where can I buy BAS 00728702?
You can request a quote for BAS 00728702 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00728702?
Yes, KEHONG BIO provides custom synthesis services for BAS 00728702 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.