AB00720831-01
TL;DR: AB00720831-01 (CAS 496027-39-5) is a chemical compound with molecular formula C22H18ClN3O2S2 and molecular weight 455.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-2-(3-ethyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
Also Known As: AB00720831-01, N-(4-chlorophenyl)-2-[(3-ethyl-4-oxo-5-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide, N-(4-chlorophenyl)-2-(3-ethyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide, N-(4-chlorophenyl)-2-(3-ethyl-4-oxo-5-phenyl(3-hydrothiopheno[2,3-d]pyrimidin- 2-ylthio))acetamide
| Molecular Formula | C22H18ClN3O2S2 |
|---|---|
| Molecular Weight | 455.05 g/mol |
| LogP | 5.5291 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.0529 |
| Heavy Atoms | 30 |
| Complexity | 1251.3593 |
Chemical Identifiers
| CAS Number | 496027-39-5 |
|---|---|
| SMILES | CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)Cl)SC=C2C4=CC=CC=C4 |
Product Overview
AB00720831-01 (CAS 496027-39-5), with molecular formula C22H18ClN3O2S2 and molecular weight 455.05 g/mol. IUPAC: N-(4-chlorophenyl)-2-(3-ethyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide.
Chemical Property Profile of AB00720831-01
Property Insights of AB00720831-01
The XLogP value of 5.5291 indicates that AB00720831-01 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 AB00720831-01. Following Lipinski's Rule of Five, AB00720831-01 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 AB00720831-01?
The CAS number of AB00720831-01 is 496027-39-5.
What is the molecular formula of AB00720831-01?
The molecular formula of AB00720831-01 is C22H18ClN3O2S2.
What is the molecular weight of AB00720831-01?
The molecular weight of AB00720831-01 is 455.05 g/mol.
Where can I buy AB00720831-01?
You can request a quote for AB00720831-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00720831-01?
Yes, KEHONG BIO provides custom synthesis services for AB00720831-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.