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8-Bromobenzofuro[3,2-d]pyrimidine-4(3H)-thione
TL;DR: 8-Bromobenzofuro[3,2-d]pyrimidine-4(3H)-thione (CAS 401631-71-8) is a chemical compound with molecular formula C10H5BrN2OS and molecular weight 279.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-1H-[1]benzofuro[3,2-d]pyrimidine-4-thione
Also Known As: BAS 01507619, 8-Bromobenzofuro[3,2-d]pyrimidine-4(3H)-thione, 8-Bromo-benzo[4,5]furo[3,2-d]pyrimidine-4-thiol, 8-bromo-1H-[1]benzofuro[3,2-d]pyrimidine-4-thione, 8-Bromo[1]benzofuro[3,2-d]pyrimidine-4(1H)-thione
| Molecular Formula | C10H5BrN2OS |
|---|---|
| Molecular Weight | 279.93 g/mol |
| LogP | 3.80109 |
| Topological Polar Surface Area | 41.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 279.9306 |
| Heavy Atoms | 15 |
| Complexity | 716.0827 |
Chemical Identifiers
| CAS Number | 401631-71-8 |
|---|---|
| SMILES | C1=CC2=C(C=C1Br)C3=C(O2)C(=S)N=CN3 |
Product Overview
8-Bromobenzofuro[3,2-d]pyrimidine-4(3H)-thione (CAS 401631-71-8), with molecular formula C10H5BrN2OS and molecular weight 279.93 g/mol. IUPAC: 8-bromo-1H-[1]benzofuro[3,2-d]pyrimidine-4-thione.
Chemical Property Profile of 8-Bromobenzofuro[3,2-d]pyrimidine-4(3H)-thione
Property Insights of 8-Bromobenzofuro[3,2-d]pyrimidine-4(3H)-thione
The XLogP value of 3.80109 indicates that 8-Bromobenzofuro[3,2-d]pyrimidine-4(3H)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.82 Ų, 8-Bromobenzofuro[3,2-d]pyrimidine-4(3H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Bromobenzofuro[3,2-d]pyrimidine-4(3H)-thione has 1 hydrogen bond donor(s) and 3 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 8-Bromobenzofuro[3,2-d]pyrimidine-4(3H)-thione?
The CAS number of 8-Bromobenzofuro[3,2-d]pyrimidine-4(3H)-thione is 401631-71-8.
What is the molecular formula of 8-Bromobenzofuro[3,2-d]pyrimidine-4(3H)-thione?
The molecular formula of 8-Bromobenzofuro[3,2-d]pyrimidine-4(3H)-thione is C10H5BrN2OS.
What is the molecular weight of 8-Bromobenzofuro[3,2-d]pyrimidine-4(3H)-thione?
The molecular weight of 8-Bromobenzofuro[3,2-d]pyrimidine-4(3H)-thione is 279.93 g/mol.
Where can I buy 8-Bromobenzofuro[3,2-d]pyrimidine-4(3H)-thione?
You can request a quote for 8-Bromobenzofuro[3,2-d]pyrimidine-4(3H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Bromobenzofuro[3,2-d]pyrimidine-4(3H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 8-Bromobenzofuro[3,2-d]pyrimidine-4(3H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.