1G-945
TL;DR: 1G-945 (CAS 321430-49-3) is a chemical compound with molecular formula C16H12ClF3N4OS2 and molecular weight 432.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methyl-5-sulfanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
Also Known As: 1G-945, 11-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-methyl-5-sulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one, 11-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-4-methyl-5-sulfanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one, 7-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-2-sulfanyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 7-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3,5,6,7,8-hexahydro-3-methyl-2-thioxopyrido[4a(2),3a(2):4,5]thieno[2,3-d]pyrimidin-4(1H)-one
| Molecular Formula | C16H12ClF3N4OS2 |
|---|---|
| Molecular Weight | 432.01 g/mol |
| LogP | 4.28749 |
| Topological Polar Surface Area | 53.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 432.0093 |
| Heavy Atoms | 27 |
| Complexity | 1181.3379 |
Chemical Identifiers
| CAS Number | 321430-49-3 |
|---|---|
| SMILES | CN1C(=O)C2=C(NC1=S)SC3=C2CCN(C3)C4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
1G-945 (CAS 321430-49-3), with molecular formula C16H12ClF3N4OS2 and molecular weight 432.01 g/mol. IUPAC: 11-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methyl-5-sulfanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one.
Chemical Property Profile of 1G-945
Property Insights of 1G-945
The XLogP value of 4.28749 indicates that 1G-945 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.92 Ų, 1G-945 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1G-945 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
Frequently Asked Questions
What is the CAS number of 1G-945?
The CAS number of 1G-945 is 321430-49-3.
What is the molecular formula of 1G-945?
The molecular formula of 1G-945 is C16H12ClF3N4OS2.
What is the molecular weight of 1G-945?
The molecular weight of 1G-945 is 432.01 g/mol.
Where can I buy 1G-945?
You can request a quote for 1G-945 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1G-945?
Yes, KEHONG BIO provides custom synthesis services for 1G-945 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.