BAS 04462494
TL;DR: BAS 04462494 (CAS 457906-99-9) is a chemical compound with molecular formula C22H18ClN3OS2 and molecular weight 439.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(2-ethylphenyl)acetamide
Also Known As: BAS 04462494, 2-[5-(4-chlorophenyl)thiopheno[3,2-e]pyrimidin-4-ylthio]-N-(2-ethylphenyl)acet amide, 2-((5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl)thio)-N-(2-ethylphenyl)acetamide, 2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(2-ethylphenyl)acetamide, 2-{[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(2-ethylphenyl)acetamide
| Molecular Formula | C22H18ClN3OS2 |
|---|---|
| Molecular Weight | 439.06 g/mol |
| LogP | 6.3049 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 439.05798 |
| Heavy Atoms | 29 |
| Complexity | 1158.4111 |
Chemical Identifiers
| CAS Number | 457906-99-9 |
|---|---|
| SMILES | CCC1=CC=CC=C1NC(=O)CSC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)Cl |
Product Overview
BAS 04462494 (CAS 457906-99-9), with molecular formula C22H18ClN3OS2 and molecular weight 439.06 g/mol. IUPAC: 2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(2-ethylphenyl)acetamide.
Chemical Property Profile of BAS 04462494
Property Insights of BAS 04462494
The XLogP value of 6.3049 indicates that BAS 04462494 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, BAS 04462494 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 04462494 has 1 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 04462494?
The CAS number of BAS 04462494 is 457906-99-9.
What is the molecular formula of BAS 04462494?
The molecular formula of BAS 04462494 is C22H18ClN3OS2.
What is the molecular weight of BAS 04462494?
The molecular weight of BAS 04462494 is 439.06 g/mol.
Where can I buy BAS 04462494?
You can request a quote for BAS 04462494 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04462494?
Yes, KEHONG BIO provides custom synthesis services for BAS 04462494 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.