![3-Chloro-11-methyl-5-[(phenylsulfanyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene structure](/static/products/885/885459-37-0.png)
3-Chloro-11-methyl-5-[(phenylsulfanyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene
TL;DR: 3-Chloro-11-methyl-5-[(phenylsulfanyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene (CAS 885459-37-0) is a chemical compound with molecular formula C18H17ClN2S2 and molecular weight 360.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-7-methyl-2-(phenylsulfanylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Also Known As: 3-Chloro-11-methyl-5-[(phenylsulfanyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene, 4-chloro-7-methyl-2-[(phenylthio)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine, 4-Chloro-7-methyl-2-((phenylthio)methyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine, 3-chloro-11-methyl-5-[(phenylsulfanyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5-tetraene, 3-chloro-11-methyl-5-[(phenylsulfanyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraene
| Molecular Formula | C18H17ClN2S2 |
|---|---|
| Molecular Weight | 360.05 g/mol |
| LogP | 5.7618 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.05215 |
| Heavy Atoms | 23 |
| Complexity | 845.09894 |
Chemical Identifiers
| CAS Number | 885459-37-0 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C(=NC(=N3)CSC4=CC=CC=C4)Cl |
Product Overview
3-Chloro-11-methyl-5-[(phenylsulfanyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene (CAS 885459-37-0), with molecular formula C18H17ClN2S2 and molecular weight 360.05 g/mol. IUPAC: 4-chloro-7-methyl-2-(phenylsulfanylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine.
Chemical Property Profile of 3-Chloro-11-methyl-5-[(phenylsulfanyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene
Property Insights of 3-Chloro-11-methyl-5-[(phenylsulfanyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene
The XLogP value of 5.7618 indicates that 3-Chloro-11-methyl-5-[(phenylsulfanyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-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-11-methyl-5-[(phenylsulfanyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-11-methyl-5-[(phenylsulfanyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-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-11-methyl-5-[(phenylsulfanyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene?
The CAS number of 3-Chloro-11-methyl-5-[(phenylsulfanyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene is 885459-37-0.
What is the molecular formula of 3-Chloro-11-methyl-5-[(phenylsulfanyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene?
The molecular formula of 3-Chloro-11-methyl-5-[(phenylsulfanyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene is C18H17ClN2S2.
What is the molecular weight of 3-Chloro-11-methyl-5-[(phenylsulfanyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene?
The molecular weight of 3-Chloro-11-methyl-5-[(phenylsulfanyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene is 360.05 g/mol.
Where can I buy 3-Chloro-11-methyl-5-[(phenylsulfanyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene?
You can request a quote for 3-Chloro-11-methyl-5-[(phenylsulfanyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-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-11-methyl-5-[(phenylsulfanyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-11-methyl-5-[(phenylsulfanyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.