RefChem:492721
TL;DR: RefChem:492721 (CAS 380340-08-9) is a chemical compound with molecular formula C24H18BrClN2O2S2 and molecular weight 543.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromophenyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: UPCMLD0ENAT0507-2293:001, 3-(4-bromophenyl)-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-(4-Bromophenyl)-2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 3-(4-Bromophenyl)-2-((2-(4-chlorophenyl)-2-oxoethyl)sulfanyl)-5,6,7,8-tetrahydro(1)benzothieno(2,3-D)pyrimidin-4(3H)-one, 3-(4-bromophenyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
| Molecular Formula | C24H18BrClN2O2S2 |
|---|---|
| Molecular Weight | 543.97 g/mol |
| LogP | 6.7169 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 543.96814 |
| Heavy Atoms | 32 |
| Complexity | 1378.6393 |
Chemical Identifiers
| CAS Number | 380340-08-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=C(C=C4)Br)SCC(=O)C5=CC=C(C=C5)Cl |
Product Overview
RefChem:492721 (CAS 380340-08-9), with molecular formula C24H18BrClN2O2S2 and molecular weight 543.97 g/mol. IUPAC: 3-(4-bromophenyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of RefChem:492721
Property Insights of RefChem:492721
The XLogP value of 6.7169 indicates that RefChem:492721 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.96 Ų, RefChem:492721 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:492721 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:492721?
The CAS number of RefChem:492721 is 380340-08-9.
What is the molecular formula of RefChem:492721?
The molecular formula of RefChem:492721 is C24H18BrClN2O2S2.
What is the molecular weight of RefChem:492721?
The molecular weight of RefChem:492721 is 543.97 g/mol.
Where can I buy RefChem:492721?
You can request a quote for RefChem:492721 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:492721?
Yes, KEHONG BIO provides custom synthesis services for RefChem:492721 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.