![2-Chloro-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one structure](/static/products/3356/335654-08-5.webp)
2-Chloro-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one
TL;DR: 2-Chloro-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one (CAS 335654-08-5) is a chemical compound with molecular formula C6H4ClN3O and molecular weight 169.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
Also Known As: 2-CHLORO-5H-PYRROLO[2,3-D]PYRIMIDIN-6(7H)-ONE, null, BrilliantCresylBlue, 2-Chloro-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one, 2-chloro-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
| Molecular Formula | C6H4ClN3O |
|---|---|
| Molecular Weight | 169.00 g/mol |
| LogP | 0.6246 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 169.00429 |
| Heavy Atoms | 11 |
| Complexity | 325.6035 |
Chemical Identifiers
| CAS Number | 335654-08-5 |
|---|---|
| SMILES | C1C2=CN=C(N=C2NC1=O)Cl |
Product Overview
2-Chloro-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one (CAS 335654-08-5), with molecular formula C6H4ClN3O and molecular weight 169.00 g/mol. IUPAC: 2-chloro-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.
Chemical Property Profile of 2-Chloro-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one
Property Insights of 2-Chloro-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one
The XLogP value of 0.6246 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one. With a topological polar surface area (TPSA) of 54.88 Ų, 2-Chloro-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one 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 2-Chloro-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one?
The CAS number of 2-Chloro-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one is 335654-08-5.
What is the molecular formula of 2-Chloro-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one?
The molecular formula of 2-Chloro-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one is C6H4ClN3O.
What is the molecular weight of 2-Chloro-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one?
The molecular weight of 2-Chloro-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one is 169.00 g/mol.
Where can I buy 2-Chloro-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one?
You can request a quote for 2-Chloro-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.