C14H18ClN3OS2
TL;DR: C14H18ClN3OS2 (CAS 1052523-47-3) is a chemical compound with molecular formula C14H18ClN3OS2 and molecular weight 343.05798 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7,12,12-trimethyl-13,16-dithia-2,5,7-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),5,10(15)-trien-8-one;hydrochloride
Also Known As: 4,7,7-trimethyl-4,6,7,9-tetrahydro-1H-imidazo[1,2-a]thiopyrano[4',3':4,5]thieno[3,2-e]pyrimidin-5(2H)-one hydrochloride
Technical Specifications
| Molecular Formula | C14H18ClN3OS2 |
| Molecular Weight | 343.05798 g/mol |
| XLogP | 2.9994 |
| Topological Polar Surface Area (TPSA) | 89.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 343.05798 Da |
| Heavy Atoms | 21 |
| Complexity | 493.0 |
| SMILES | CC1(CC2=C(CS1)SC3=C2C(=O)N(C4=NCCN34)C)C.Cl |
| InChIKey | RQULKXIRNNBLAX-UHFFFAOYSA-N |
Chemical Property Profile of C14H18ClN3OS2
Property Insights of C14H18ClN3OS2
The XLogP value of 2.9994 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C14H18ClN3OS2. The TPSA of 89.5 Ų falls within the moderate polarity range, balancing permeability and solubility for C14H18ClN3OS2. Following Lipinski's Rule of Five, C14H18ClN3OS2 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C14H18ClN3OS2?
The CAS number of C14H18ClN3OS2 is 1052523-47-3.
What is the molecular formula of C14H18ClN3OS2?
The molecular formula of C14H18ClN3OS2 is C14H18ClN3OS2.
What is the molecular weight of C14H18ClN3OS2?
The molecular weight of C14H18ClN3OS2 is 343.05798 g/mol.
Where can I buy C14H18ClN3OS2?
You can request a quote for C14H18ClN3OS2 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C14H18ClN3OS2?
Yes, CoreyChem provides custom synthesis services for C14H18ClN3OS2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.