![5-(4-bromophenyl)-2,8-dimercapto-5H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidine-4,6-diol structure](/static/products/330/330200-66-3.png)
5-(4-bromophenyl)-2,8-dimercapto-5H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidine-4,6-diol
TL;DR: 5-(4-bromophenyl)-2,8-dimercapto-5H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidine-4,6-diol (CAS 330200-66-3) is a chemical compound with molecular formula C15H9BrN4O3S2 and molecular weight 435.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-bromophenyl)-5,13-bis(sulfanylidene)-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8)-diene-7,11-dione
Also Known As: 5-(4-bromophenyl)-2,8-dimercapto-5H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidine-4,6-diol, 5-(4-bromophenyl)-2,8-dimercapto-5H-pyrano[2,3-d:6,5-d']dipyrimidine-4,6-diol, 5-(4-bromophenyl)-2,8-disulfanyl-5H-pyrano[2,3-d:6,5-d']dipyrimidine-4,6-diol
| Molecular Formula | C15H9BrN4O3S2 |
|---|---|
| Molecular Weight | 435.93 g/mol |
| LogP | 3.22678 |
| Topological Polar Surface Area | 106.53 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 435.92996 |
| Heavy Atoms | 25 |
| Complexity | 1149.9946 |
Chemical Identifiers
| CAS Number | 330200-66-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C2C3=C(NC(=S)NC3=O)OC4=C2C(=O)NC(=S)N4)Br |
Product Overview
5-(4-bromophenyl)-2,8-dimercapto-5H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidine-4,6-diol (CAS 330200-66-3), with molecular formula C15H9BrN4O3S2 and molecular weight 435.93 g/mol. IUPAC: 9-(4-bromophenyl)-5,13-bis(sulfanylidene)-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8)-diene-7,11-dione.
Chemical Property Profile of 5-(4-bromophenyl)-2,8-dimercapto-5H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidine-4,6-diol
Property Insights of 5-(4-bromophenyl)-2,8-dimercapto-5H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidine-4,6-diol
The XLogP value of 3.22678 indicates that 5-(4-bromophenyl)-2,8-dimercapto-5H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidine-4,6-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-bromophenyl)-2,8-dimercapto-5H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidine-4,6-diol. Following Lipinski's Rule of Five, 5-(4-bromophenyl)-2,8-dimercapto-5H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidine-4,6-diol has 4 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 5-(4-bromophenyl)-2,8-dimercapto-5H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidine-4,6-diol?
The CAS number of 5-(4-bromophenyl)-2,8-dimercapto-5H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidine-4,6-diol is 330200-66-3.
What is the molecular formula of 5-(4-bromophenyl)-2,8-dimercapto-5H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidine-4,6-diol?
The molecular formula of 5-(4-bromophenyl)-2,8-dimercapto-5H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidine-4,6-diol is C15H9BrN4O3S2.
What is the molecular weight of 5-(4-bromophenyl)-2,8-dimercapto-5H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidine-4,6-diol?
The molecular weight of 5-(4-bromophenyl)-2,8-dimercapto-5H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidine-4,6-diol is 435.93 g/mol.
Where can I buy 5-(4-bromophenyl)-2,8-dimercapto-5H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidine-4,6-diol?
You can request a quote for 5-(4-bromophenyl)-2,8-dimercapto-5H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidine-4,6-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-bromophenyl)-2,8-dimercapto-5H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidine-4,6-diol?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-bromophenyl)-2,8-dimercapto-5H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidine-4,6-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.