ChemDiv1_021448
TL;DR: ChemDiv1_021448 (CAS 328568-63-4) is a chemical compound with molecular formula C20H22Br2N2O2S and molecular weight 511.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-tert-butyl-2-(3,5-dibromo-2-hydroxyphenyl)-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: ChemDiv1_021448, BAS 00590245, 7-tert-butyl-2-(3,5-dibromo-2-hydroxyphenyl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one, 7-tert-butyl-2-(3,5-dibromo-2-hydroxyphenyl)-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one, 2-(3,5-dibromo-2-hydroxyphenyl)-7-(tert-butyl)-1,2,3,5,6,7,8-heptahydrobenzo[b ]thiopheno[2,3-d]pyrimidin-4-one
| Molecular Formula | C20H22Br2N2O2S |
|---|---|
| Molecular Weight | 511.98 g/mol |
| LogP | 5.9838 |
| Topological Polar Surface Area | 61.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 511.97687 |
| Heavy Atoms | 27 |
| Complexity | 933.0385 |
Chemical Identifiers
| CAS Number | 328568-63-4 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=C(C(=CC(=C4)Br)Br)O |
Product Overview
ChemDiv1_021448 (CAS 328568-63-4), with molecular formula C20H22Br2N2O2S and molecular weight 511.98 g/mol. IUPAC: 7-tert-butyl-2-(3,5-dibromo-2-hydroxyphenyl)-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of ChemDiv1_021448
Property Insights of ChemDiv1_021448
The XLogP value of 5.9838 indicates that ChemDiv1_021448 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.36 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_021448. Following Lipinski's Rule of Five, ChemDiv1_021448 has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_021448?
The CAS number of ChemDiv1_021448 is 328568-63-4.
What is the molecular formula of ChemDiv1_021448?
The molecular formula of ChemDiv1_021448 is C20H22Br2N2O2S.
What is the molecular weight of ChemDiv1_021448?
The molecular weight of ChemDiv1_021448 is 511.98 g/mol.
Where can I buy ChemDiv1_021448?
You can request a quote for ChemDiv1_021448 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021448?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021448 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.