BAS 00469598
TL;DR: BAS 00469598 (CAS 332412-55-2) is a chemical compound with molecular formula C25H23N3O3S2 and molecular weight 477.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-ethyl-2-[(4-nitrophenyl)methylsulfanyl]-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: BAS 00469598, 7-ethyl-2-[(4-nitrophenyl)methylsulfanyl]-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 7-ethyl-2-({4-nitrobenzyl}sulfanyl)-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 7-ethyl-2-[(4-nitrobenzyl)sulfanyl]-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 7-ethyl-2-((4-nitrobenzyl)thio)-3-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C25H23N3O3S2 |
|---|---|
| Molecular Weight | 477.12 g/mol |
| LogP | 6.1626 |
| Topological Polar Surface Area | 78.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 477.11807 |
| Heavy Atoms | 33 |
| Complexity | 1378.2921 |
Chemical Identifiers
| CAS Number | 332412-55-2 |
|---|---|
| SMILES | CCC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5 |
Product Overview
BAS 00469598 (CAS 332412-55-2), with molecular formula C25H23N3O3S2 and molecular weight 477.12 g/mol. IUPAC: 7-ethyl-2-[(4-nitrophenyl)methylsulfanyl]-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of BAS 00469598
Property Insights of BAS 00469598
The XLogP value of 6.1626 indicates that BAS 00469598 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.03 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00469598. Following Lipinski's Rule of Five, BAS 00469598 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00469598?
The CAS number of BAS 00469598 is 332412-55-2.
What is the molecular formula of BAS 00469598?
The molecular formula of BAS 00469598 is C25H23N3O3S2.
What is the molecular weight of BAS 00469598?
The molecular weight of BAS 00469598 is 477.12 g/mol.
Where can I buy BAS 00469598?
You can request a quote for BAS 00469598 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00469598?
Yes, KEHONG BIO provides custom synthesis services for BAS 00469598 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.