![3-Amino-3,5,6,8-tetrahydro-6,6-dimethyl-2-[(4-nitrophenyl)methyl]-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one structure](/static/products/4007/400752-99-0.webp)
3-Amino-3,5,6,8-tetrahydro-6,6-dimethyl-2-[(4-nitrophenyl)methyl]-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
TL;DR: 3-Amino-3,5,6,8-tetrahydro-6,6-dimethyl-2-[(4-nitrophenyl)methyl]-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one (CAS 400752-99-0) is a chemical compound with molecular formula C18H18N4O4S and molecular weight 386.10 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-nitrophenyl)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-3,5,6,8-tetrahydro-6,6-dimethyl-2-[(4-nitrophenyl)methyl]-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 3-amino-2-{4-nitrobenzyl}-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 3-Amino-3,5,6,8-tetrahydro-6,6-dimethyl-2-[(4-nitrophenyl)methyl]-4H-pyrano[4a(2),3a(2):4,5]thieno[2,3-d]pyrimidin-4-one, 3-amino-6,6-dimethyl-2-(4-nitrobenzyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one, 4-amino-12,12-dimethyl-5-[(4-nitrophenyl)methyl]-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
| Molecular Formula | C18H18N4O4S |
|---|---|
| Molecular Weight | 386.10 g/mol |
| LogP | 2.5221 |
| Topological Polar Surface Area | 113.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 386.1049 |
| Heavy Atoms | 27 |
| Complexity | 1115.0774 |
Chemical Identifiers
| CAS Number | 400752-99-0 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)CC4=CC=C(C=C4)[N+](=O)[O-])N)C |
Product Overview
3-Amino-3,5,6,8-tetrahydro-6,6-dimethyl-2-[(4-nitrophenyl)methyl]-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one (CAS 400752-99-0), with molecular formula C18H18N4O4S and molecular weight 386.10 g/mol. IUPAC: 4-amino-12,12-dimethyl-5-[(4-nitrophenyl)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-3,5,6,8-tetrahydro-6,6-dimethyl-2-[(4-nitrophenyl)methyl]-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Property Insights of 3-Amino-3,5,6,8-tetrahydro-6,6-dimethyl-2-[(4-nitrophenyl)methyl]-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
The XLogP value of 2.5221 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-3,5,6,8-tetrahydro-6,6-dimethyl-2-[(4-nitrophenyl)methyl]-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one. The TPSA of 113.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-3,5,6,8-tetrahydro-6,6-dimethyl-2-[(4-nitrophenyl)methyl]-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one. Following Lipinski's Rule of Five, 3-Amino-3,5,6,8-tetrahydro-6,6-dimethyl-2-[(4-nitrophenyl)methyl]-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-3,5,6,8-tetrahydro-6,6-dimethyl-2-[(4-nitrophenyl)methyl]-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one?
The CAS number of 3-Amino-3,5,6,8-tetrahydro-6,6-dimethyl-2-[(4-nitrophenyl)methyl]-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one is 400752-99-0.
What is the molecular formula of 3-Amino-3,5,6,8-tetrahydro-6,6-dimethyl-2-[(4-nitrophenyl)methyl]-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one?
The molecular formula of 3-Amino-3,5,6,8-tetrahydro-6,6-dimethyl-2-[(4-nitrophenyl)methyl]-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one is C18H18N4O4S.
What is the molecular weight of 3-Amino-3,5,6,8-tetrahydro-6,6-dimethyl-2-[(4-nitrophenyl)methyl]-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one?
The molecular weight of 3-Amino-3,5,6,8-tetrahydro-6,6-dimethyl-2-[(4-nitrophenyl)methyl]-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one is 386.10 g/mol.
Where can I buy 3-Amino-3,5,6,8-tetrahydro-6,6-dimethyl-2-[(4-nitrophenyl)methyl]-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one?
You can request a quote for 3-Amino-3,5,6,8-tetrahydro-6,6-dimethyl-2-[(4-nitrophenyl)methyl]-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-3,5,6,8-tetrahydro-6,6-dimethyl-2-[(4-nitrophenyl)methyl]-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-3,5,6,8-tetrahydro-6,6-dimethyl-2-[(4-nitrophenyl)methyl]-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.