5-chloro-2-(2,4-dihydroxypyrimidin-5-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
TL;DR: 5-chloro-2-(2,4-dihydroxypyrimidin-5-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione (CAS 334506-98-8) is a chemical compound with molecular formula C12H10ClN3O4 and molecular weight 295.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-(2,4-dioxo-1H-pyrimidin-5-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Also Known As: 5-chloro-2-(2,4-dihydroxypyrimidin-5-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione, 5-chloro-2-(2,4-dioxo-1H-pyrimidin-5-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
| Molecular Formula | C12H10ClN3O4 |
|---|---|
| Molecular Weight | 295.04 g/mol |
| LogP | 0.0853 |
| Topological Polar Surface Area | 103.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 295.03598 |
| Heavy Atoms | 20 |
| Complexity | 747.5596 |
Chemical Identifiers
| CAS Number | 334506-98-8 |
|---|---|
| SMILES | C1C=C(CC2C1C(=O)N(C2=O)C3=CNC(=O)NC3=O)Cl |
Product Overview
5-chloro-2-(2,4-dihydroxypyrimidin-5-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione (CAS 334506-98-8), with molecular formula C12H10ClN3O4 and molecular weight 295.04 g/mol. IUPAC: 5-chloro-2-(2,4-dioxo-1H-pyrimidin-5-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione.
Chemical Property Profile of 5-chloro-2-(2,4-dihydroxypyrimidin-5-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Property Insights of 5-chloro-2-(2,4-dihydroxypyrimidin-5-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
The XLogP value of 0.0853 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-chloro-2-(2,4-dihydroxypyrimidin-5-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione. The TPSA of 103.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-chloro-2-(2,4-dihydroxypyrimidin-5-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, 5-chloro-2-(2,4-dihydroxypyrimidin-5-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione has 2 hydrogen bond donor(s) and 4 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-chloro-2-(2,4-dihydroxypyrimidin-5-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
The CAS number of 5-chloro-2-(2,4-dihydroxypyrimidin-5-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione is 334506-98-8.
What is the molecular formula of 5-chloro-2-(2,4-dihydroxypyrimidin-5-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
The molecular formula of 5-chloro-2-(2,4-dihydroxypyrimidin-5-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione is C12H10ClN3O4.
What is the molecular weight of 5-chloro-2-(2,4-dihydroxypyrimidin-5-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
The molecular weight of 5-chloro-2-(2,4-dihydroxypyrimidin-5-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione is 295.04 g/mol.
Where can I buy 5-chloro-2-(2,4-dihydroxypyrimidin-5-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
You can request a quote for 5-chloro-2-(2,4-dihydroxypyrimidin-5-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-chloro-2-(2,4-dihydroxypyrimidin-5-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-2-(2,4-dihydroxypyrimidin-5-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.