![3-chloro-5-{[(4-chlorophenyl)sulfanyl]methyl}-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5-tetraene structure](/static/products/885/885459-40-5.png)
3-chloro-5-{[(4-chlorophenyl)sulfanyl]methyl}-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5-tetraene
TL;DR: 3-chloro-5-{[(4-chlorophenyl)sulfanyl]methyl}-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5-tetraene (CAS 885459-40-5) is a chemical compound with molecular formula C18H16Cl2N2S2 and molecular weight 394.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-[(4-chlorophenyl)sulfanylmethyl]-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Also Known As: 3-chloro-5-{[(4-chlorophenyl)sulfanyl]methyl}-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5-tetraene, 3-Chloro-5-{[(4-chlorophenyl)sulfanyl]methyl}-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene, 4-chloro-2-{[(4-chlorophenyl)thio]methyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine, 3-chloro-5-{[(4-chlorophenyl)sulfanyl]methyl}-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraene, 3-chloro-5-{[(4-chlorophenyl)sulfanyl]methyl}-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.02,?]trideca-1(9),2,4,6-tetraene
| Molecular Formula | C18H16Cl2N2S2 |
|---|---|
| Molecular Weight | 394.01 g/mol |
| LogP | 6.4152 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 394.01318 |
| Heavy Atoms | 24 |
| Complexity | 890.1653 |
Chemical Identifiers
| CAS Number | 885459-40-5 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C(=NC(=N3)CSC4=CC=C(C=C4)Cl)Cl |
Product Overview
3-chloro-5-{[(4-chlorophenyl)sulfanyl]methyl}-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5-tetraene (CAS 885459-40-5), with molecular formula C18H16Cl2N2S2 and molecular weight 394.01 g/mol. IUPAC: 4-chloro-2-[(4-chlorophenyl)sulfanylmethyl]-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine.
Chemical Property Profile of 3-chloro-5-{[(4-chlorophenyl)sulfanyl]methyl}-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5-tetraene
Property Insights of 3-chloro-5-{[(4-chlorophenyl)sulfanyl]methyl}-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5-tetraene
The XLogP value of 6.4152 indicates that 3-chloro-5-{[(4-chlorophenyl)sulfanyl]methyl}-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5-tetraene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.78 Ų, 3-chloro-5-{[(4-chlorophenyl)sulfanyl]methyl}-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5-tetraene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-5-{[(4-chlorophenyl)sulfanyl]methyl}-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5-tetraene has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-chloro-5-{[(4-chlorophenyl)sulfanyl]methyl}-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5-tetraene?
The CAS number of 3-chloro-5-{[(4-chlorophenyl)sulfanyl]methyl}-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5-tetraene is 885459-40-5.
What is the molecular formula of 3-chloro-5-{[(4-chlorophenyl)sulfanyl]methyl}-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5-tetraene?
The molecular formula of 3-chloro-5-{[(4-chlorophenyl)sulfanyl]methyl}-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5-tetraene is C18H16Cl2N2S2.
What is the molecular weight of 3-chloro-5-{[(4-chlorophenyl)sulfanyl]methyl}-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5-tetraene?
The molecular weight of 3-chloro-5-{[(4-chlorophenyl)sulfanyl]methyl}-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5-tetraene is 394.01 g/mol.
Where can I buy 3-chloro-5-{[(4-chlorophenyl)sulfanyl]methyl}-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5-tetraene?
You can request a quote for 3-chloro-5-{[(4-chlorophenyl)sulfanyl]methyl}-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5-tetraene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-5-{[(4-chlorophenyl)sulfanyl]methyl}-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5-tetraene?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-5-{[(4-chlorophenyl)sulfanyl]methyl}-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5-tetraene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.