BAS 04454107
TL;DR: BAS 04454107 (CAS 488096-10-2) is a chemical compound with molecular formula C20H19ClN2OS2 and molecular weight 402.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2-[(2-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone
Also Known As: BAS 04454107, 1-(4-chlorophenyl)-2-((2-ethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)ethanone, 1-(4-chlorophenyl)-2-[(2-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone, 1-(4-chlorophenyl)-2-[(2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone
| Molecular Formula | C20H19ClN2OS2 |
|---|---|
| Molecular Weight | 402.06 g/mol |
| LogP | 5.7609 |
| Topological Polar Surface Area | 42.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.06274 |
| Heavy Atoms | 26 |
| Complexity | 966.0968 |
Chemical Identifiers
| CAS Number | 488096-10-2 |
|---|---|
| SMILES | CCC1=NC2=C(C3=C(S2)CCCC3)C(=N1)SCC(=O)C4=CC=C(C=C4)Cl |
Product Overview
BAS 04454107 (CAS 488096-10-2), with molecular formula C20H19ClN2OS2 and molecular weight 402.06 g/mol. IUPAC: 1-(4-chlorophenyl)-2-[(2-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone.
Chemical Property Profile of BAS 04454107
Property Insights of BAS 04454107
The XLogP value of 5.7609 indicates that BAS 04454107 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.85 Ų, BAS 04454107 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 04454107 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 BAS 04454107?
The CAS number of BAS 04454107 is 488096-10-2.
What is the molecular formula of BAS 04454107?
The molecular formula of BAS 04454107 is C20H19ClN2OS2.
What is the molecular weight of BAS 04454107?
The molecular weight of BAS 04454107 is 402.06 g/mol.
Where can I buy BAS 04454107?
You can request a quote for BAS 04454107 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04454107?
Yes, KEHONG BIO provides custom synthesis services for BAS 04454107 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.