BAS 02053271
TL;DR: BAS 02053271 (CAS 443740-01-0) is a chemical compound with molecular formula C25H22ClN3O2S2 and molecular weight 495.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chlorophenyl)-2-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
Also Known As: BAS 02053271, N-(3-chlorophenyl)-2-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide, N-(3-chlorophenyl)-2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide, N-(3-chlorophenyl)-2-((4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide, N-(3-chlorophenyl)-2-[3-(4-methylphenyl)-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thi opheno[2,3-d]pyrimidin-2-ylthio)]acetamide
| Molecular Formula | C25H22ClN3O2S2 |
|---|---|
| Molecular Weight | 495.08 g/mol |
| LogP | 6.01862 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 495.0842 |
| Heavy Atoms | 33 |
| Complexity | 1409.9373 |
Chemical Identifiers
| CAS Number | 443740-01-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=CC(=CC=C4)Cl)SC5=C3CCCC5 |
Product Overview
BAS 02053271 (CAS 443740-01-0), with molecular formula C25H22ClN3O2S2 and molecular weight 495.08 g/mol. IUPAC: N-(3-chlorophenyl)-2-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide.
Chemical Property Profile of BAS 02053271
Property Insights of BAS 02053271
The XLogP value of 6.01862 indicates that BAS 02053271 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02053271. Following Lipinski's Rule of Five, BAS 02053271 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 02053271?
The CAS number of BAS 02053271 is 443740-01-0.
What is the molecular formula of BAS 02053271?
The molecular formula of BAS 02053271 is C25H22ClN3O2S2.
What is the molecular weight of BAS 02053271?
The molecular weight of BAS 02053271 is 495.08 g/mol.
Where can I buy BAS 02053271?
You can request a quote for BAS 02053271 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02053271?
Yes, KEHONG BIO provides custom synthesis services for BAS 02053271 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.