![1-allyl-3-(3-chlorophenyl)-6,6-dimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione structure](/static/products/799/799784-97-7.png)
1-allyl-3-(3-chlorophenyl)-6,6-dimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
TL;DR: 1-allyl-3-(3-chlorophenyl)-6,6-dimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione (CAS 799784-97-7) is a chemical compound with molecular formula C20H19ClN2O3S and molecular weight 402.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chlorophenyl)-12,12-dimethyl-6-prop-2-enyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-3,5-dione
Also Known As: 1-allyl-3-(3-chlorophenyl)-6,6-dimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione, 1-allyl-3-(3-chlorophenyl)-6,6-dimethyl-5,6-dihydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H,8H)-dione, 3-(3-chlorophenyl)-6,6-dimethyl-1-(prop-2-en-1-yl)-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
| Molecular Formula | C20H19ClN2O3S |
|---|---|
| Molecular Weight | 402.08 g/mol |
| LogP | 3.9046 |
| Topological Polar Surface Area | 53.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 402.0805 |
| Heavy Atoms | 27 |
| Complexity | 1186.3806 |
Chemical Identifiers
| CAS Number | 799784-97-7 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=O)N3CC=C)C4=CC(=CC=C4)Cl)C |
Product Overview
1-allyl-3-(3-chlorophenyl)-6,6-dimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione (CAS 799784-97-7), with molecular formula C20H19ClN2O3S and molecular weight 402.08 g/mol. IUPAC: 4-(3-chlorophenyl)-12,12-dimethyl-6-prop-2-enyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-3,5-dione.
Chemical Property Profile of 1-allyl-3-(3-chlorophenyl)-6,6-dimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Property Insights of 1-allyl-3-(3-chlorophenyl)-6,6-dimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
The XLogP value of 3.9046 indicates that 1-allyl-3-(3-chlorophenyl)-6,6-dimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.23 Ų, 1-allyl-3-(3-chlorophenyl)-6,6-dimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-allyl-3-(3-chlorophenyl)-6,6-dimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione has 0 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 1-allyl-3-(3-chlorophenyl)-6,6-dimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione?
The CAS number of 1-allyl-3-(3-chlorophenyl)-6,6-dimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione is 799784-97-7.
What is the molecular formula of 1-allyl-3-(3-chlorophenyl)-6,6-dimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione?
The molecular formula of 1-allyl-3-(3-chlorophenyl)-6,6-dimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione is C20H19ClN2O3S.
What is the molecular weight of 1-allyl-3-(3-chlorophenyl)-6,6-dimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione?
The molecular weight of 1-allyl-3-(3-chlorophenyl)-6,6-dimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione is 402.08 g/mol.
Where can I buy 1-allyl-3-(3-chlorophenyl)-6,6-dimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione?
You can request a quote for 1-allyl-3-(3-chlorophenyl)-6,6-dimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-allyl-3-(3-chlorophenyl)-6,6-dimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-allyl-3-(3-chlorophenyl)-6,6-dimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.