![3-amino-2-(3,4-dimethoxybenzyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one structure](/static/products/384/384352-18-5.png)
3-amino-2-(3,4-dimethoxybenzyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
TL;DR: 3-amino-2-(3,4-dimethoxybenzyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one (CAS 384352-18-5) is a chemical compound with molecular formula C20H23N3O4S and molecular weight 401.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-[(3,4-dimethoxyphenyl)methyl]-12,12-dimethyl-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-2-(3,4-dimethoxybenzyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 3-amino-2-(3,4-dimethoxybenzyl)-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
| Molecular Formula | C20H23N3O4S |
|---|---|
| Molecular Weight | 401.14 g/mol |
| LogP | 2.6311 |
| Topological Polar Surface Area | 88.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.14093 |
| Heavy Atoms | 28 |
| Complexity | 1116.8168 |
Chemical Identifiers
| CAS Number | 384352-18-5 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)CC4=CC(=C(C=C4)OC)OC)N)C |
Product Overview
3-amino-2-(3,4-dimethoxybenzyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one (CAS 384352-18-5), with molecular formula C20H23N3O4S and molecular weight 401.14 g/mol. IUPAC: 4-amino-5-[(3,4-dimethoxyphenyl)methyl]-12,12-dimethyl-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-2-(3,4-dimethoxybenzyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Property Insights of 3-amino-2-(3,4-dimethoxybenzyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
The XLogP value of 2.6311 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-amino-2-(3,4-dimethoxybenzyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one. The TPSA of 88.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-amino-2-(3,4-dimethoxybenzyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one. Following Lipinski's Rule of Five, 3-amino-2-(3,4-dimethoxybenzyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one has 1 hydrogen bond donor(s) and 7 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-2-(3,4-dimethoxybenzyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one?
The CAS number of 3-amino-2-(3,4-dimethoxybenzyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one is 384352-18-5.
What is the molecular formula of 3-amino-2-(3,4-dimethoxybenzyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one?
The molecular formula of 3-amino-2-(3,4-dimethoxybenzyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one is C20H23N3O4S.
What is the molecular weight of 3-amino-2-(3,4-dimethoxybenzyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one?
The molecular weight of 3-amino-2-(3,4-dimethoxybenzyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one is 401.14 g/mol.
Where can I buy 3-amino-2-(3,4-dimethoxybenzyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one?
You can request a quote for 3-amino-2-(3,4-dimethoxybenzyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-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-2-(3,4-dimethoxybenzyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-amino-2-(3,4-dimethoxybenzyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.