BAS 09687822
TL;DR: BAS 09687822 (CAS 824945-59-7) is a chemical compound with molecular formula C16H12Cl2N4OS2 and molecular weight 409.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-pyrimidin-2-ylsulfanylacetamide
Also Known As: BAS 09687822, N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-pyrimidin-2-ylsulfanylacetamide, N-[5-(2,4-Dichloro-benzyl)-thiazol-2-yl]-2-(pyrimidin-2-ylsulfanyl)-acetamide, N-[5-(2,4-dichlorobenzyl)-1,3-thiazol-2-yl]-2-(pyrimidin-2-ylsulfanyl)acetamide, N-{5-[(2,4-dichlorophenyl)methyl](1,3-thiazol-2-yl)}-2-pyrimidin-2-ylthioaceta mide
| Molecular Formula | C16H12Cl2N4OS2 |
|---|---|
| Molecular Weight | 409.98 g/mol |
| LogP | 4.5615 |
| Topological Polar Surface Area | 67.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.98297 |
| Heavy Atoms | 25 |
| Complexity | 873.5811 |
Chemical Identifiers
| CAS Number | 824945-59-7 |
|---|---|
| SMILES | C1=CN=C(N=C1)SCC(=O)NC2=NC=C(S2)CC3=C(C=C(C=C3)Cl)Cl |
Product Overview
BAS 09687822 (CAS 824945-59-7), with molecular formula C16H12Cl2N4OS2 and molecular weight 409.98 g/mol. IUPAC: N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-pyrimidin-2-ylsulfanylacetamide.
Chemical Property Profile of BAS 09687822
Property Insights of BAS 09687822
The XLogP value of 4.5615 indicates that BAS 09687822 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.77 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 09687822. Following Lipinski's Rule of Five, BAS 09687822 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 09687822?
The CAS number of BAS 09687822 is 824945-59-7.
What is the molecular formula of BAS 09687822?
The molecular formula of BAS 09687822 is C16H12Cl2N4OS2.
What is the molecular weight of BAS 09687822?
The molecular weight of BAS 09687822 is 409.98 g/mol.
Where can I buy BAS 09687822?
You can request a quote for BAS 09687822 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09687822?
Yes, KEHONG BIO provides custom synthesis services for BAS 09687822 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.