C18H17ClN2OS
TL;DR: C18H17ClN2OS (CAS 1024193-60-9) is a chemical compound with molecular formula C18H17ClN2OS and molecular weight 344.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(3-chlorophenyl)-9,13-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-11-thione
Also Known As: 3-(3-chlorophenyl)-2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione, F6548-2817, 10-(3-chlorophenyl)-9,13-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-11-thione, 10-(3-chlorophenyl)-9,13-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-triene-11-thione, 3-(3-chlorophenyl)-2,11-dimethyl-5,6-dihydro-2H-2,6-methanobenzo[g][1,3,5]oxadiazocine-4(3H)-thione
| Molecular Formula | C18H17ClN2OS |
|---|---|
| Molecular Weight | 344.07 g/mol |
| LogP | 4.5205 |
| Topological Polar Surface Area | 24.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 344.075 |
| Heavy Atoms | 23 |
| Complexity | 796.096 |
Chemical Identifiers
| CAS Number | 1024193-60-9 |
|---|---|
| SMILES | CC1C2C3=CC=CC=C3OC1(N(C(=S)N2)C4=CC(=CC=C4)Cl)C |
Product Overview
C18H17ClN2OS (CAS 1024193-60-9), with molecular formula C18H17ClN2OS and molecular weight 344.07 g/mol. IUPAC: 10-(3-chlorophenyl)-9,13-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-11-thione.
Chemical Property Profile of C18H17ClN2OS
Property Insights of C18H17ClN2OS
The XLogP value of 4.5205 indicates that C18H17ClN2OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.5 Ų, C18H17ClN2OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C18H17ClN2OS has 1 hydrogen bond donor(s) and 2 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 C18H17ClN2OS?
The CAS number of C18H17ClN2OS is 1024193-60-9.
What is the molecular formula of C18H17ClN2OS?
The molecular formula of C18H17ClN2OS is C18H17ClN2OS.
What is the molecular weight of C18H17ClN2OS?
The molecular weight of C18H17ClN2OS is 344.07 g/mol.
Where can I buy C18H17ClN2OS?
You can request a quote for C18H17ClN2OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H17ClN2OS?
Yes, KEHONG BIO provides custom synthesis services for C18H17ClN2OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.