![3-(3-chlorophenyl)-1-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione structure](/static/products/799/799808-57-4.png)
3-(3-chlorophenyl)-1-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
TL;DR: 3-(3-chlorophenyl)-1-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione (CAS 799808-57-4) is a chemical compound with molecular formula C17H15ClN2O2S and molecular weight 346.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chlorophenyl)-1-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione
Also Known As: 3-(3-chlorophenyl)-1-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione, 3-(3-chlorophenyl)-1-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione, 3-(3-chlorophenyl)-1-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C17H15ClN2O2S |
|---|---|
| Molecular Weight | 346.05 g/mol |
| LogP | 3.2831 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 346.0543 |
| Heavy Atoms | 23 |
| Complexity | 1045.1536 |
Chemical Identifiers
| CAS Number | 799808-57-4 |
|---|---|
| SMILES | CN1C2=C(C3=C(S2)CCCC3)C(=O)N(C1=O)C4=CC(=CC=C4)Cl |
Product Overview
3-(3-chlorophenyl)-1-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione (CAS 799808-57-4), with molecular formula C17H15ClN2O2S and molecular weight 346.05 g/mol. IUPAC: 3-(3-chlorophenyl)-1-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione.
Chemical Property Profile of 3-(3-chlorophenyl)-1-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Property Insights of 3-(3-chlorophenyl)-1-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
The XLogP value of 3.2831 indicates that 3-(3-chlorophenyl)-1-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.0 Ų, 3-(3-chlorophenyl)-1-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-chlorophenyl)-1-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione has 0 hydrogen bond donor(s) and 3 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-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione?
The CAS number of 3-(3-chlorophenyl)-1-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione is 799808-57-4.
What is the molecular formula of 3-(3-chlorophenyl)-1-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione?
The molecular formula of 3-(3-chlorophenyl)-1-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione is C17H15ClN2O2S.
What is the molecular weight of 3-(3-chlorophenyl)-1-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione?
The molecular weight of 3-(3-chlorophenyl)-1-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione is 346.05 g/mol.
Where can I buy 3-(3-chlorophenyl)-1-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione?
You can request a quote for 3-(3-chlorophenyl)-1-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine-2,4(1H,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-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-chlorophenyl)-1-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.