![3-amino-6,6-dimethyl-2-(4-methylbenzyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one structure](/static/products/7142/714212-15-4.webp)
3-amino-6,6-dimethyl-2-(4-methylbenzyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
TL;DR: 3-amino-6,6-dimethyl-2-(4-methylbenzyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one (CAS 714212-15-4) is a chemical compound with molecular formula C19H21N3O2S and molecular weight 355.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-12,12-dimethyl-5-[(4-methylphenyl)methyl]-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: 3-amino-6,6-dimethyl-2-(4-methylbenzyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one, 3-amino-6,6-dimethyl-2-[(4-methylphenyl)methyl]-5,8-dihydropyrano[2,3]thieno[2,4-d]pyrimidin-4-one
| Molecular Formula | C19H21N3O2S |
|---|---|
| Molecular Weight | 355.14 g/mol |
| LogP | 2.92232 |
| Topological Polar Surface Area | 70.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 355.13544 |
| Heavy Atoms | 25 |
| Complexity | 1015.8106 |
Chemical Identifiers
| CAS Number | 714212-15-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CC2=NC3=C(C4=C(S3)COC(C4)(C)C)C(=O)N2N |
Product Overview
3-amino-6,6-dimethyl-2-(4-methylbenzyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one (CAS 714212-15-4), with molecular formula C19H21N3O2S and molecular weight 355.14 g/mol. IUPAC: 4-amino-12,12-dimethyl-5-[(4-methylphenyl)methyl]-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of 3-amino-6,6-dimethyl-2-(4-methylbenzyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
Property Insights of 3-amino-6,6-dimethyl-2-(4-methylbenzyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
The XLogP value of 2.92232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-amino-6,6-dimethyl-2-(4-methylbenzyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one. The TPSA of 70.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-amino-6,6-dimethyl-2-(4-methylbenzyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one. Following Lipinski's Rule of Five, 3-amino-6,6-dimethyl-2-(4-methylbenzyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one has 1 hydrogen bond donor(s) and 5 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-amino-6,6-dimethyl-2-(4-methylbenzyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
The CAS number of 3-amino-6,6-dimethyl-2-(4-methylbenzyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is 714212-15-4.
What is the molecular formula of 3-amino-6,6-dimethyl-2-(4-methylbenzyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
The molecular formula of 3-amino-6,6-dimethyl-2-(4-methylbenzyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is C19H21N3O2S.
What is the molecular weight of 3-amino-6,6-dimethyl-2-(4-methylbenzyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
The molecular weight of 3-amino-6,6-dimethyl-2-(4-methylbenzyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is 355.14 g/mol.
Where can I buy 3-amino-6,6-dimethyl-2-(4-methylbenzyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
You can request a quote for 3-amino-6,6-dimethyl-2-(4-methylbenzyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-amino-6,6-dimethyl-2-(4-methylbenzyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-amino-6,6-dimethyl-2-(4-methylbenzyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.