ChemDiv1_021404
TL;DR: ChemDiv1_021404 (CAS 303131-18-2) is a chemical compound with molecular formula C20H23ClN2OS and molecular weight 374.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-tert-butyl-2-(4-chlorophenyl)-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: ChemDiv1_021404, 7-tert-butyl-2-(4-chlorophenyl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one, 7-tert-butyl-2-(4-chlorophenyl)-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one, 7-tert-butyl-2-(4-chlorophenyl)-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4-ol, 7-(tert-butyl)-2-(4-chlorophenyl)-1,2,3,5,6,7,8-heptahydrobenzo[b]thiopheno[2, 3-d]pyrimidin-4-one
| Molecular Formula | C20H23ClN2OS |
|---|---|
| Molecular Weight | 374.12 g/mol |
| LogP | 5.4066 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 374.12195 |
| Heavy Atoms | 25 |
| Complexity | 819.4571 |
Chemical Identifiers
| CAS Number | 303131-18-2 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC=C(C=C4)Cl |
Product Overview
ChemDiv1_021404 (CAS 303131-18-2), with molecular formula C20H23ClN2OS and molecular weight 374.12 g/mol. IUPAC: 7-tert-butyl-2-(4-chlorophenyl)-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of ChemDiv1_021404
Property Insights of ChemDiv1_021404
The XLogP value of 5.4066 indicates that ChemDiv1_021404 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, ChemDiv1_021404 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_021404 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_021404?
The CAS number of ChemDiv1_021404 is 303131-18-2.
What is the molecular formula of ChemDiv1_021404?
The molecular formula of ChemDiv1_021404 is C20H23ClN2OS.
What is the molecular weight of ChemDiv1_021404?
The molecular weight of ChemDiv1_021404 is 374.12 g/mol.
Where can I buy ChemDiv1_021404?
You can request a quote for ChemDiv1_021404 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021404?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021404 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.