![4,4-dimethyl-5'-phenyl-hexahydrospiro[cyclohexane-1,3'-pyrrolo[3,4-d][1,2]oxazole]-2,4',6,6'-tetrone structure](/static/products/3390/339011-75-5.webp)
4,4-dimethyl-5'-phenyl-hexahydrospiro[cyclohexane-1,3'-pyrrolo[3,4-d][1,2]oxazole]-2,4',6,6'-tetrone
TL;DR: 4,4-dimethyl-5'-phenyl-hexahydrospiro[cyclohexane-1,3'-pyrrolo[3,4-d][1,2]oxazole]-2,4',6,6'-tetrone (CAS 339011-75-5) is a chemical compound with molecular formula C18H18N2O5 and molecular weight 342.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5',5'-dimethyl-5-phenylspiro[3a,6a-dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-3,2'-cyclohexane]-1',3',4,6-tetrone
Also Known As: 4,4-dimethyl-5'-phenyl-hexahydrospiro[cyclohexane-1,3'-pyrrolo[3,4-d][1,2]oxazole]-2,4',6,6'-tetrone, 7G-950, 3,3-Spiro-2-[5,5-dimethylcyclohexane-1,3-dionoyl]-5-phenyl dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6-(3H,5H)-dione, 5',5'-dimethyl-5-phenylspiro[3a,6a-dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-3,2'-cyclohexane]-1',3',4,6-tetrone, 4,4-Dimethyl-5a(2)-phenylspiro[cyclohexane-1,3a(2)(3a(2)aH)-[2H]pyrrolo[3,4-d]isoxazole]-2,4a(2),6,6a(2)(5a(2)H,6a(2)aH)-tetrone
| Molecular Formula | C18H18N2O5 |
|---|---|
| Molecular Weight | 342.12 g/mol |
| LogP | 0.7764 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 342.12158 |
| Heavy Atoms | 25 |
| Complexity | 780.9443 |
Chemical Identifiers
| CAS Number | 339011-75-5 |
|---|---|
| SMILES | CC1(CC(=O)C2(C3C(C(=O)N(C3=O)C4=CC=CC=C4)ON2)C(=O)C1)C |
Product Overview
4,4-dimethyl-5'-phenyl-hexahydrospiro[cyclohexane-1,3'-pyrrolo[3,4-d][1,2]oxazole]-2,4',6,6'-tetrone (CAS 339011-75-5), with molecular formula C18H18N2O5 and molecular weight 342.12 g/mol. IUPAC: 5',5'-dimethyl-5-phenylspiro[3a,6a-dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-3,2'-cyclohexane]-1',3',4,6-tetrone.
Chemical Property Profile of 4,4-dimethyl-5'-phenyl-hexahydrospiro[cyclohexane-1,3'-pyrrolo[3,4-d][1,2]oxazole]-2,4',6,6'-tetrone
Property Insights of 4,4-dimethyl-5'-phenyl-hexahydrospiro[cyclohexane-1,3'-pyrrolo[3,4-d][1,2]oxazole]-2,4',6,6'-tetrone
The XLogP value of 0.7764 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-dimethyl-5'-phenyl-hexahydrospiro[cyclohexane-1,3'-pyrrolo[3,4-d][1,2]oxazole]-2,4',6,6'-tetrone. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4-dimethyl-5'-phenyl-hexahydrospiro[cyclohexane-1,3'-pyrrolo[3,4-d][1,2]oxazole]-2,4',6,6'-tetrone. Following Lipinski's Rule of Five, 4,4-dimethyl-5'-phenyl-hexahydrospiro[cyclohexane-1,3'-pyrrolo[3,4-d][1,2]oxazole]-2,4',6,6'-tetrone has 1 hydrogen bond donor(s) and 6 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 4,4-dimethyl-5'-phenyl-hexahydrospiro[cyclohexane-1,3'-pyrrolo[3,4-d][1,2]oxazole]-2,4',6,6'-tetrone?
The CAS number of 4,4-dimethyl-5'-phenyl-hexahydrospiro[cyclohexane-1,3'-pyrrolo[3,4-d][1,2]oxazole]-2,4',6,6'-tetrone is 339011-75-5.
What is the molecular formula of 4,4-dimethyl-5'-phenyl-hexahydrospiro[cyclohexane-1,3'-pyrrolo[3,4-d][1,2]oxazole]-2,4',6,6'-tetrone?
The molecular formula of 4,4-dimethyl-5'-phenyl-hexahydrospiro[cyclohexane-1,3'-pyrrolo[3,4-d][1,2]oxazole]-2,4',6,6'-tetrone is C18H18N2O5.
What is the molecular weight of 4,4-dimethyl-5'-phenyl-hexahydrospiro[cyclohexane-1,3'-pyrrolo[3,4-d][1,2]oxazole]-2,4',6,6'-tetrone?
The molecular weight of 4,4-dimethyl-5'-phenyl-hexahydrospiro[cyclohexane-1,3'-pyrrolo[3,4-d][1,2]oxazole]-2,4',6,6'-tetrone is 342.12 g/mol.
Where can I buy 4,4-dimethyl-5'-phenyl-hexahydrospiro[cyclohexane-1,3'-pyrrolo[3,4-d][1,2]oxazole]-2,4',6,6'-tetrone?
You can request a quote for 4,4-dimethyl-5'-phenyl-hexahydrospiro[cyclohexane-1,3'-pyrrolo[3,4-d][1,2]oxazole]-2,4',6,6'-tetrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-dimethyl-5'-phenyl-hexahydrospiro[cyclohexane-1,3'-pyrrolo[3,4-d][1,2]oxazole]-2,4',6,6'-tetrone?
Yes, KEHONG BIO provides custom synthesis services for 4,4-dimethyl-5'-phenyl-hexahydrospiro[cyclohexane-1,3'-pyrrolo[3,4-d][1,2]oxazole]-2,4',6,6'-tetrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.