![9'-(4-methylphenyl)-8',9'-dihydro-1'H-spiro[cyclohexane-1,2'-pyrido[3',2':4,5]thieno[3,2-d]pyrimidine]-4',7'(3'H,6'H)-dione structure](/static/products/799/799772-14-8.png)
9'-(4-methylphenyl)-8',9'-dihydro-1'H-spiro[cyclohexane-1,2'-pyrido[3',2':4,5]thieno[3,2-d]pyrimidine]-4',7'(3'H,6'H)-dione
TL;DR: 9'-(4-methylphenyl)-8',9'-dihydro-1'H-spiro[cyclohexane-1,2'-pyrido[3',2':4,5]thieno[3,2-d]pyrimidine]-4',7'(3'H,6'H)-dione (CAS 799772-14-8) is a chemical compound with molecular formula C21H23N3O2S and molecular weight 381.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-(4-methylphenyl)spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-4,1'-cyclohexane]-6,11-dione
Also Known As: 9'-(4-methylphenyl)-8',9'-dihydro-1'H-spiro[cyclohexane-1,2'-pyrido[3',2':4,5]thieno[3,2-d]pyrimidine]-4',7'(3'H,6'H)-dione, 9'-(p-tolyl)-8',9'-dihydro-1'H-spiro[cyclohexane-1,2'-pyrido[3',2':4,5]thieno[3,2-d]pyrimidine]-4',7'(3'H,6'H)-dione
| Molecular Formula | C21H23N3O2S |
|---|---|
| Molecular Weight | 381.15 g/mol |
| LogP | 4.34632 |
| Topological Polar Surface Area | 70.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 381.1511 |
| Heavy Atoms | 27 |
| Complexity | 925.6485 |
Chemical Identifiers
| CAS Number | 799772-14-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2CC(=O)NC3=C2C4=C(S3)C(=O)NC5(N4)CCCCC5 |
Product Overview
9'-(4-methylphenyl)-8',9'-dihydro-1'H-spiro[cyclohexane-1,2'-pyrido[3',2':4,5]thieno[3,2-d]pyrimidine]-4',7'(3'H,6'H)-dione (CAS 799772-14-8), with molecular formula C21H23N3O2S and molecular weight 381.15 g/mol. IUPAC: 13-(4-methylphenyl)spiro[8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-4,1'-cyclohexane]-6,11-dione.
Chemical Property Profile of 9'-(4-methylphenyl)-8',9'-dihydro-1'H-spiro[cyclohexane-1,2'-pyrido[3',2':4,5]thieno[3,2-d]pyrimidine]-4',7'(3'H,6'H)-dione
Property Insights of 9'-(4-methylphenyl)-8',9'-dihydro-1'H-spiro[cyclohexane-1,2'-pyrido[3',2':4,5]thieno[3,2-d]pyrimidine]-4',7'(3'H,6'H)-dione
The XLogP value of 4.34632 indicates that 9'-(4-methylphenyl)-8',9'-dihydro-1'H-spiro[cyclohexane-1,2'-pyrido[3',2':4,5]thieno[3,2-d]pyrimidine]-4',7'(3'H,6'H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 9'-(4-methylphenyl)-8',9'-dihydro-1'H-spiro[cyclohexane-1,2'-pyrido[3',2':4,5]thieno[3,2-d]pyrimidine]-4',7'(3'H,6'H)-dione. Following Lipinski's Rule of Five, 9'-(4-methylphenyl)-8',9'-dihydro-1'H-spiro[cyclohexane-1,2'-pyrido[3',2':4,5]thieno[3,2-d]pyrimidine]-4',7'(3'H,6'H)-dione has 3 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 9'-(4-methylphenyl)-8',9'-dihydro-1'H-spiro[cyclohexane-1,2'-pyrido[3',2':4,5]thieno[3,2-d]pyrimidine]-4',7'(3'H,6'H)-dione?
The CAS number of 9'-(4-methylphenyl)-8',9'-dihydro-1'H-spiro[cyclohexane-1,2'-pyrido[3',2':4,5]thieno[3,2-d]pyrimidine]-4',7'(3'H,6'H)-dione is 799772-14-8.
What is the molecular formula of 9'-(4-methylphenyl)-8',9'-dihydro-1'H-spiro[cyclohexane-1,2'-pyrido[3',2':4,5]thieno[3,2-d]pyrimidine]-4',7'(3'H,6'H)-dione?
The molecular formula of 9'-(4-methylphenyl)-8',9'-dihydro-1'H-spiro[cyclohexane-1,2'-pyrido[3',2':4,5]thieno[3,2-d]pyrimidine]-4',7'(3'H,6'H)-dione is C21H23N3O2S.
What is the molecular weight of 9'-(4-methylphenyl)-8',9'-dihydro-1'H-spiro[cyclohexane-1,2'-pyrido[3',2':4,5]thieno[3,2-d]pyrimidine]-4',7'(3'H,6'H)-dione?
The molecular weight of 9'-(4-methylphenyl)-8',9'-dihydro-1'H-spiro[cyclohexane-1,2'-pyrido[3',2':4,5]thieno[3,2-d]pyrimidine]-4',7'(3'H,6'H)-dione is 381.15 g/mol.
Where can I buy 9'-(4-methylphenyl)-8',9'-dihydro-1'H-spiro[cyclohexane-1,2'-pyrido[3',2':4,5]thieno[3,2-d]pyrimidine]-4',7'(3'H,6'H)-dione?
You can request a quote for 9'-(4-methylphenyl)-8',9'-dihydro-1'H-spiro[cyclohexane-1,2'-pyrido[3',2':4,5]thieno[3,2-d]pyrimidine]-4',7'(3'H,6'H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9'-(4-methylphenyl)-8',9'-dihydro-1'H-spiro[cyclohexane-1,2'-pyrido[3',2':4,5]thieno[3,2-d]pyrimidine]-4',7'(3'H,6'H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 9'-(4-methylphenyl)-8',9'-dihydro-1'H-spiro[cyclohexane-1,2'-pyrido[3',2':4,5]thieno[3,2-d]pyrimidine]-4',7'(3'H,6'H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.