ChemDiv1_021142
TL;DR: ChemDiv1_021142 (CAS 328906-28-1) is a chemical compound with molecular formula C22H28N2O3S and molecular weight 400.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-tert-butyl-2-(2,4-dimethoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: ChemDiv1_021142, BAS 00593426, 7-tert-butyl-2-(2,4-dimethoxyphenyl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one, 7-(tert-butyl)-2-(2,4-dimethoxyphenyl)-2,3,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(1H)-one, 7-tert-butyl-2-(2,4-dimethoxyphenyl)-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4-ol
| Molecular Formula | C22H28N2O3S |
|---|---|
| Molecular Weight | 400.18 g/mol |
| LogP | 4.7704 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.18207 |
| Heavy Atoms | 28 |
| Complexity | 913.2362 |
Chemical Identifiers
| CAS Number | 328906-28-1 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=C(C=C(C=C4)OC)OC |
Product Overview
ChemDiv1_021142 (CAS 328906-28-1), with molecular formula C22H28N2O3S and molecular weight 400.18 g/mol. IUPAC: 7-tert-butyl-2-(2,4-dimethoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of ChemDiv1_021142
Property Insights of ChemDiv1_021142
The XLogP value of 4.7704 indicates that ChemDiv1_021142 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.59 Ų, ChemDiv1_021142 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_021142 has 2 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 ChemDiv1_021142?
The CAS number of ChemDiv1_021142 is 328906-28-1.
What is the molecular formula of ChemDiv1_021142?
The molecular formula of ChemDiv1_021142 is C22H28N2O3S.
What is the molecular weight of ChemDiv1_021142?
The molecular weight of ChemDiv1_021142 is 400.18 g/mol.
Where can I buy ChemDiv1_021142?
You can request a quote for ChemDiv1_021142 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021142?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021142 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.