![4-(4-chlorophenyl)-6-[(4-chlorophenyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7)-diene-3,5-dione structure](/static/products/799/799826-87-2.png)
4-(4-chlorophenyl)-6-[(4-chlorophenyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7)-diene-3,5-dione
TL;DR: 4-(4-chlorophenyl)-6-[(4-chlorophenyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7)-diene-3,5-dione (CAS 799826-87-2) is a chemical compound with molecular formula C23H18Cl2N2O2S and molecular weight 456.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione
Also Known As: 4-(4-chlorophenyl)-6-[(4-chlorophenyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7)-diene-3,5-dione, F3168-1086, 1-(4-chlorobenzyl)-3-(4-chlorophenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione, 3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione, 1-(4-chlorobenzyl)-3-(4-chlorophenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C23H18Cl2N2O2S |
|---|---|
| Molecular Weight | 456.05 g/mol |
| LogP | 5.4478 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 456.0466 |
| Heavy Atoms | 30 |
| Complexity | 1366.3334 |
Chemical Identifiers
| CAS Number | 799826-87-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N(C(=O)N(C3=O)C4=CC=C(C=C4)Cl)CC5=CC=C(C=C5)Cl |
Product Overview
4-(4-chlorophenyl)-6-[(4-chlorophenyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7)-diene-3,5-dione (CAS 799826-87-2), with molecular formula C23H18Cl2N2O2S and molecular weight 456.05 g/mol. IUPAC: 3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione.
Chemical Property Profile of 4-(4-chlorophenyl)-6-[(4-chlorophenyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7)-diene-3,5-dione
Property Insights of 4-(4-chlorophenyl)-6-[(4-chlorophenyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7)-diene-3,5-dione
The XLogP value of 5.4478 indicates that 4-(4-chlorophenyl)-6-[(4-chlorophenyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7)-diene-3,5-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, 4-(4-chlorophenyl)-6-[(4-chlorophenyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7)-diene-3,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-chlorophenyl)-6-[(4-chlorophenyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7)-diene-3,5-dione has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(4-chlorophenyl)-6-[(4-chlorophenyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7)-diene-3,5-dione?
The CAS number of 4-(4-chlorophenyl)-6-[(4-chlorophenyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7)-diene-3,5-dione is 799826-87-2.
What is the molecular formula of 4-(4-chlorophenyl)-6-[(4-chlorophenyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7)-diene-3,5-dione?
The molecular formula of 4-(4-chlorophenyl)-6-[(4-chlorophenyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7)-diene-3,5-dione is C23H18Cl2N2O2S.
What is the molecular weight of 4-(4-chlorophenyl)-6-[(4-chlorophenyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7)-diene-3,5-dione?
The molecular weight of 4-(4-chlorophenyl)-6-[(4-chlorophenyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7)-diene-3,5-dione is 456.05 g/mol.
Where can I buy 4-(4-chlorophenyl)-6-[(4-chlorophenyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7)-diene-3,5-dione?
You can request a quote for 4-(4-chlorophenyl)-6-[(4-chlorophenyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7)-diene-3,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-chlorophenyl)-6-[(4-chlorophenyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7)-diene-3,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-chlorophenyl)-6-[(4-chlorophenyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7)-diene-3,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.