![3-(4-Chlorophenyl)-5,7-dimethyl[1,2]oxazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione structure](/static/products/6820/68205-95-8.webp)
3-(4-Chlorophenyl)-5,7-dimethyl[1,2]oxazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
TL;DR: 3-(4-Chlorophenyl)-5,7-dimethyl[1,2]oxazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione (CAS 68205-95-8) is a chemical compound with molecular formula C13H10ClN3O3 and molecular weight 291.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-5,7-dimethyl-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione
Also Known As: 3-(4-Chlorophenyl)-5,7-dimethylisoxazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione, 3-(4-chlorophenyl)-5,7-dimethyl-[1,2]oxazolo[3,4-d]pyrimidin, 3-(4-Chlorophenyl)-5,7-dimethyl[1,2]oxazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione, 3-(4-chlorophenyl)-5,7-dimethyl-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione, 7-(4-chlorophenyl)-2,4-dimethyl-8-oxa-2,4,9-triazabicyclo[4.3.0]nona-6,9-diene-3,5-dione
| Molecular Formula | C13H10ClN3O3 |
|---|---|
| Molecular Weight | 291.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 66.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 291.04108 |
| Heavy Atoms | 20 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 68205-95-8 |
|---|---|
| SMILES | CN1C2=NOC(=C2C(=O)N(C1=O)C)C3=CC=C(C=C3)Cl |
| InChIKey | PONCMTZWMMAZOB-UHFFFAOYSA-N |
Product Overview
3-(4-Chlorophenyl)-5,7-dimethyl[1,2]oxazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione (CAS 68205-95-8), with molecular formula C13H10ClN3O3 and molecular weight 291.04 g/mol. IUPAC: 3-(4-chlorophenyl)-5,7-dimethyl-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione.
Chemical Property Profile of 3-(4-Chlorophenyl)-5,7-dimethyl[1,2]oxazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
Property Insights of 3-(4-Chlorophenyl)-5,7-dimethyl[1,2]oxazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Chlorophenyl)-5,7-dimethyl[1,2]oxazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione. The TPSA of 66.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Chlorophenyl)-5,7-dimethyl[1,2]oxazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)-5,7-dimethyl[1,2]oxazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione has 0 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 3-(4-Chlorophenyl)-5,7-dimethyl[1,2]oxazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione?
The CAS number of 3-(4-Chlorophenyl)-5,7-dimethyl[1,2]oxazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione is 68205-95-8.
What is the molecular formula of 3-(4-Chlorophenyl)-5,7-dimethyl[1,2]oxazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione?
The molecular formula of 3-(4-Chlorophenyl)-5,7-dimethyl[1,2]oxazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione is C13H10ClN3O3.
What is the molecular weight of 3-(4-Chlorophenyl)-5,7-dimethyl[1,2]oxazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione?
The molecular weight of 3-(4-Chlorophenyl)-5,7-dimethyl[1,2]oxazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione is 291.04 g/mol.
Where can I buy 3-(4-Chlorophenyl)-5,7-dimethyl[1,2]oxazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione?
You can request a quote for 3-(4-Chlorophenyl)-5,7-dimethyl[1,2]oxazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chlorophenyl)-5,7-dimethyl[1,2]oxazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenyl)-5,7-dimethyl[1,2]oxazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.