![3-(3-chlorophenyl)-1,6,6-trimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione structure](/static/products/7131/713113-75-8.webp)
3-(3-chlorophenyl)-1,6,6-trimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
TL;DR: 3-(3-chlorophenyl)-1,6,6-trimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione (CAS 713113-75-8) is a chemical compound with molecular formula C18H17ClN2O3S and molecular weight 376.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chlorophenyl)-6,12,12-trimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-3,5-dione
Also Known As: 3-(3-chlorophenyl)-1,6,6-trimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione, 3-(3-chlorophenyl)-1,6,6-trimethyl-5,6-dihydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H,8H)-dione, 3-(3-chlorophenyl)-1,6,6-trimethyl-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidine-2,4-dione
| Molecular Formula | C18H17ClN2O3S |
|---|---|
| Molecular Weight | 376.06 g/mol |
| LogP | 3.2556 |
| Topological Polar Surface Area | 53.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 376.06485 |
| Heavy Atoms | 25 |
| Complexity | 1123.7772 |
Chemical Identifiers
| CAS Number | 713113-75-8 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=O)N3C)C4=CC(=CC=C4)Cl)C |
Product Overview
3-(3-chlorophenyl)-1,6,6-trimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione (CAS 713113-75-8), with molecular formula C18H17ClN2O3S and molecular weight 376.06 g/mol. IUPAC: 4-(3-chlorophenyl)-6,12,12-trimethyl-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 3-(3-chlorophenyl)-1,6,6-trimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Property Insights of 3-(3-chlorophenyl)-1,6,6-trimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
The XLogP value of 3.2556 indicates that 3-(3-chlorophenyl)-1,6,6-trimethyl-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, 3-(3-chlorophenyl)-1,6,6-trimethyl-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, 3-(3-chlorophenyl)-1,6,6-trimethyl-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 3-(3-chlorophenyl)-1,6,6-trimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione?
The CAS number of 3-(3-chlorophenyl)-1,6,6-trimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione is 713113-75-8.
What is the molecular formula of 3-(3-chlorophenyl)-1,6,6-trimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione?
The molecular formula of 3-(3-chlorophenyl)-1,6,6-trimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione is C18H17ClN2O3S.
What is the molecular weight of 3-(3-chlorophenyl)-1,6,6-trimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione?
The molecular weight of 3-(3-chlorophenyl)-1,6,6-trimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione is 376.06 g/mol.
Where can I buy 3-(3-chlorophenyl)-1,6,6-trimethyl-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 3-(3-chlorophenyl)-1,6,6-trimethyl-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 3-(3-chlorophenyl)-1,6,6-trimethyl-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 3-(3-chlorophenyl)-1,6,6-trimethyl-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.