![2-[5-(4-Bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetonitrile structure](/static/products/4579/457908-65-5.webp)
2-[5-(4-Bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetonitrile
TL;DR: 2-[5-(4-Bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetonitrile (CAS 457908-65-5) is a chemical compound with molecular formula C14H8BrN3S2 and molecular weight 360.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetonitrile
Also Known As: AP-906/41635095, 2-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetonitrile, {[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetonitrile, 2-[5-(4-bromophenyl)thiopheno[3,2-e]pyrimidin-4-ylthio]ethanenitrile
| Molecular Formula | C14H8BrN3S2 |
|---|---|
| Molecular Weight | 360.93 g/mol |
| LogP | 4.73648 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.9343 |
| Heavy Atoms | 20 |
| Complexity | 790.27936 |
Chemical Identifiers
| CAS Number | 457908-65-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CSC3=C2C(=NC=N3)SCC#N)Br |
Product Overview
2-[5-(4-Bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetonitrile (CAS 457908-65-5), with molecular formula C14H8BrN3S2 and molecular weight 360.93 g/mol. IUPAC: 2-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetonitrile.
Chemical Property Profile of 2-[5-(4-Bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetonitrile
Property Insights of 2-[5-(4-Bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetonitrile
The XLogP value of 4.73648 indicates that 2-[5-(4-Bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.57 Ų, 2-[5-(4-Bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[5-(4-Bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetonitrile has 0 hydrogen bond donor(s) and 5 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 2-[5-(4-Bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetonitrile?
The CAS number of 2-[5-(4-Bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetonitrile is 457908-65-5.
What is the molecular formula of 2-[5-(4-Bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetonitrile?
The molecular formula of 2-[5-(4-Bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetonitrile is C14H8BrN3S2.
What is the molecular weight of 2-[5-(4-Bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetonitrile?
The molecular weight of 2-[5-(4-Bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetonitrile is 360.93 g/mol.
Where can I buy 2-[5-(4-Bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetonitrile?
You can request a quote for 2-[5-(4-Bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[5-(4-Bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-(4-Bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.