BAS 00455961
TL;DR: BAS 00455961 (CAS 313481-24-2) is a chemical compound with molecular formula C17H18N4OS2 and molecular weight 358.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
Also Known As: BAS 00455961, A0844/0039564, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide, Acetamide, 2-(4,6-dimethylpyrimidin-2-ylthio)-N-(4,5,6,7-tetrahydro-3-cyanobenzothien-2-yl)-, N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]acetamide
| Molecular Formula | C17H18N4OS2 |
|---|---|
| Molecular Weight | 358.09 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.0922 |
| Heavy Atoms | 24 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 313481-24-2 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)C |
| InChIKey | LVLYQLNWJXREHW-UHFFFAOYSA-N |
Product Overview
BAS 00455961 (CAS 313481-24-2), with molecular formula C17H18N4OS2 and molecular weight 358.09 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide.
Chemical Property Profile of BAS 00455961
Property Insights of BAS 00455961
The XLogP value of 4.3 indicates that BAS 00455961 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00455961. Following Lipinski's Rule of Five, BAS 00455961 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 00455961?
The CAS number of BAS 00455961 is 313481-24-2.
What is the molecular formula of BAS 00455961?
The molecular formula of BAS 00455961 is C17H18N4OS2.
What is the molecular weight of BAS 00455961?
The molecular weight of BAS 00455961 is 358.09 g/mol.
Where can I buy BAS 00455961?
You can request a quote for BAS 00455961 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00455961?
Yes, KEHONG BIO provides custom synthesis services for BAS 00455961 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.