BAS 03212335
TL;DR: BAS 03212335 (CAS 483977-84-0) is a chemical compound with molecular formula C16H16N4OS2 and molecular weight 344.08 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-methylpyrimidin-2-yl)sulfanylacetamide
Also Known As: BAS 03212335, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide, N-(3-Cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-2-(4-methyl-pyrimidin-2-ylsulfanyl)-acetamide, N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-((4-methylpyrimidin-2-yl)thio)acetamide, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanamide
| Molecular Formula | C16H16N4OS2 |
|---|---|
| Molecular Weight | 344.08 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.07657 |
| Heavy Atoms | 23 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 483977-84-0 |
|---|---|
| SMILES | CC1=NC(=NC=C1)SCC(=O)NC2=C(C3=C(S2)CCCC3)C#N |
| InChIKey | JEZSJYMVVWXKKF-UHFFFAOYSA-N |
Product Overview
BAS 03212335 (CAS 483977-84-0), with molecular formula C16H16N4OS2 and molecular weight 344.08 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide.
Chemical Property Profile of BAS 03212335
Property Insights of BAS 03212335
The XLogP value of 3.9 indicates that BAS 03212335 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 03212335. Following Lipinski's Rule of Five, BAS 03212335 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 03212335?
The CAS number of BAS 03212335 is 483977-84-0.
What is the molecular formula of BAS 03212335?
The molecular formula of BAS 03212335 is C16H16N4OS2.
What is the molecular weight of BAS 03212335?
The molecular weight of BAS 03212335 is 344.08 g/mol.
Where can I buy BAS 03212335?
You can request a quote for BAS 03212335 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03212335?
Yes, KEHONG BIO provides custom synthesis services for BAS 03212335 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.