![6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diol structure](/static/products/5347/53476-71-4.webp)
6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diol
TL;DR: 6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diol (CAS 53476-71-4) is a chemical compound with molecular formula C9H12N2O2 and molecular weight 180.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidine-2,4-dione
Also Known As: 6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diol, 7614AB, 1,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidine-2,4-dione, AN-584/43345394, 1,5,6,7,8,9-HEXAHYDRO-2H-CYCLOHEPTA[D]PYRIMIDINE-2,4(3H)-DIONE
| Molecular Formula | C9H12N2O2 |
|---|---|
| Molecular Weight | 180.09 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.08987 |
| Heavy Atoms | 13 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 53476-71-4 |
|---|---|
| SMILES | C1CCC2=C(CC1)NC(=O)NC2=O |
| InChIKey | PXILTEYPVYROAH-UHFFFAOYSA-N |
Product Overview
6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diol (CAS 53476-71-4), with molecular formula C9H12N2O2 and molecular weight 180.09 g/mol. IUPAC: 1,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidine-2,4-dione.
Chemical Property Profile of 6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diol
Property Insights of 6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diol
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diol. With a topological polar surface area (TPSA) of 58.2 Ų, 6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diol 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 6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diol?
The CAS number of 6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diol is 53476-71-4.
What is the molecular formula of 6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diol?
The molecular formula of 6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diol is C9H12N2O2.
What is the molecular weight of 6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diol?
The molecular weight of 6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diol is 180.09 g/mol.
Where can I buy 6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diol?
You can request a quote for 6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diol?
Yes, KEHONG BIO provides custom synthesis services for 6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.