BAS 00590246
TL;DR: BAS 00590246 (CAS 328568-64-5) is a chemical compound with molecular formula C20H23N3O4S and molecular weight 401.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-tert-butyl-2-(4-hydroxy-3-nitrophenyl)-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: BAS 00590246, 7-(tert-butyl)-2-(4-hydroxy-3-nitrophenyl)-2,3,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(1H)-one, 7-tert-butyl-2-(4-hydroxy-3-nitrophenyl)-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one, 7-tert-butyl-2-(4-hydroxy-3-nitrophenyl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one, 7-tert-butyl-2-{4-hydroxy-3-nitrophenyl}-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
| Molecular Formula | C20H23N3O4S |
|---|---|
| Molecular Weight | 401.14 g/mol |
| LogP | 4.367 |
| Topological Polar Surface Area | 104.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 401.14093 |
| Heavy Atoms | 28 |
| Complexity | 976.5609 |
Chemical Identifiers
| CAS Number | 328568-64-5 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=C(C=C4)O)[N+](=O)[O-] |
Product Overview
BAS 00590246 (CAS 328568-64-5), with molecular formula C20H23N3O4S and molecular weight 401.14 g/mol. IUPAC: 7-tert-butyl-2-(4-hydroxy-3-nitrophenyl)-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of BAS 00590246
Property Insights of BAS 00590246
The XLogP value of 4.367 indicates that BAS 00590246 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00590246. Following Lipinski's Rule of Five, BAS 00590246 has 3 hydrogen bond donor(s) and 6 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 BAS 00590246?
The CAS number of BAS 00590246 is 328568-64-5.
What is the molecular formula of BAS 00590246?
The molecular formula of BAS 00590246 is C20H23N3O4S.
What is the molecular weight of BAS 00590246?
The molecular weight of BAS 00590246 is 401.14 g/mol.
Where can I buy BAS 00590246?
You can request a quote for BAS 00590246 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00590246?
Yes, KEHONG BIO provides custom synthesis services for BAS 00590246 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.