![3-(3-chlorophenyl)-1-(4-nitrobenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione structure](/static/products/674/674306-89-9.png)
3-(3-chlorophenyl)-1-(4-nitrobenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
TL;DR: 3-(3-chlorophenyl)-1-(4-nitrobenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione (CAS 674306-89-9) is a chemical compound with molecular formula C23H18ClN3O4S and molecular weight 467.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chlorophenyl)-1-[(4-nitrophenyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione
Also Known As: 3-(3-chlorophenyl)-1-(4-nitrobenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione, 3-(3-chlorophenyl)-1-(4-nitrobenzyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione, 3-(3-chlorophenyl)-1-[(4-nitrophenyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione
| Molecular Formula | C23H18ClN3O4S |
|---|---|
| Molecular Weight | 467.07 g/mol |
| LogP | 4.7026 |
| Topological Polar Surface Area | 87.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 467.07065 |
| Heavy Atoms | 32 |
| Complexity | 1484.3868 |
Chemical Identifiers
| CAS Number | 674306-89-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N(C(=O)N(C3=O)C4=CC(=CC=C4)Cl)CC5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
3-(3-chlorophenyl)-1-(4-nitrobenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione (CAS 674306-89-9), with molecular formula C23H18ClN3O4S and molecular weight 467.07 g/mol. IUPAC: 3-(3-chlorophenyl)-1-[(4-nitrophenyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione.
Chemical Property Profile of 3-(3-chlorophenyl)-1-(4-nitrobenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Property Insights of 3-(3-chlorophenyl)-1-(4-nitrobenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
The XLogP value of 4.7026 indicates that 3-(3-chlorophenyl)-1-(4-nitrobenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-chlorophenyl)-1-(4-nitrobenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 3-(3-chlorophenyl)-1-(4-nitrobenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione has 0 hydrogen bond donor(s) and 5 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-(4-nitrobenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione?
The CAS number of 3-(3-chlorophenyl)-1-(4-nitrobenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione is 674306-89-9.
What is the molecular formula of 3-(3-chlorophenyl)-1-(4-nitrobenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione?
The molecular formula of 3-(3-chlorophenyl)-1-(4-nitrobenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione is C23H18ClN3O4S.
What is the molecular weight of 3-(3-chlorophenyl)-1-(4-nitrobenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione?
The molecular weight of 3-(3-chlorophenyl)-1-(4-nitrobenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione is 467.07 g/mol.
Where can I buy 3-(3-chlorophenyl)-1-(4-nitrobenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione?
You can request a quote for 3-(3-chlorophenyl)-1-(4-nitrobenzyl)-5,6,7,8-tetrahydro[1]benzothieno[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-(4-nitrobenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-chlorophenyl)-1-(4-nitrobenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.