![5-Bromo-1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione structure](/static/products/2227/22276-96-6.webp)
5-Bromo-1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione
TL;DR: 5-Bromo-1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione (CAS 22276-96-6) is a chemical compound with molecular formula C6H4BrN3S and molecular weight 228.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione
Also Known As: 5-bromo-1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione, 5-Bromo-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidine-4-thione, 4H-Pyrrolo[2,3-d]pyrimidine-4-thione, 5-bromo-3,7-dihydro-
| Molecular Formula | C6H4BrN3S |
|---|---|
| Molecular Weight | 228.93 g/mol |
| LogP | 2.38299 |
| Topological Polar Surface Area | 44.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 228.93092 |
| Heavy Atoms | 11 |
| Complexity | 444.2693 |
Chemical Identifiers
| CAS Number | 22276-96-6 |
|---|---|
| SMILES | C1=C(C2=C(N1)NC=NC2=S)Br |
Product Overview
5-Bromo-1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione (CAS 22276-96-6), with molecular formula C6H4BrN3S and molecular weight 228.93 g/mol. IUPAC: 5-bromo-1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione.
Chemical Property Profile of 5-Bromo-1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione
Property Insights of 5-Bromo-1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione
The XLogP value of 2.38299 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione. With a topological polar surface area (TPSA) of 44.47 Ų, 5-Bromo-1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione has 2 hydrogen bond donor(s) and 2 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-Bromo-1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione?
The CAS number of 5-Bromo-1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione is 22276-96-6.
What is the molecular formula of 5-Bromo-1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione?
The molecular formula of 5-Bromo-1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione is C6H4BrN3S.
What is the molecular weight of 5-Bromo-1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione?
The molecular weight of 5-Bromo-1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione is 228.93 g/mol.
Where can I buy 5-Bromo-1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione?
You can request a quote for 5-Bromo-1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.