12H-922
TL;DR: 12H-922 (CAS 306978-13-2) is a chemical compound with molecular formula C17H13ClF3N5O2S and molecular weight 443.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-6-pyridin-2-ylsulfanyl-1H-pyrimidine-2,4-dione
Also Known As: 12H-922, 3-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-6-(2-pyridinylsulfanyl)-2,4(1H,3H)-pyrimidinedione, 3-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-6-(pyridin-2-ylsulfanyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione, 3-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-6-pyridin-2-ylsulfanyl-1H-pyrimidine-2,4-dione
| Molecular Formula | C17H13ClF3N5O2S |
|---|---|
| Molecular Weight | 443.04 g/mol |
| LogP | 3.2621 |
| Topological Polar Surface Area | 92.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.04306 |
| Heavy Atoms | 29 |
| Complexity | 1087.2817 |
Chemical Identifiers
| CAS Number | 306978-13-2 |
|---|---|
| SMILES | C1=CC=NC(=C1)SC2=CC(=O)N(C(=O)N2)CCNC3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
12H-922 (CAS 306978-13-2), with molecular formula C17H13ClF3N5O2S and molecular weight 443.04 g/mol. IUPAC: 3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-6-pyridin-2-ylsulfanyl-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 12H-922
Property Insights of 12H-922
The XLogP value of 3.2621 indicates that 12H-922 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 12H-922. Following Lipinski's Rule of Five, 12H-922 has 2 hydrogen bond donor(s) and 6 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 12H-922?
The CAS number of 12H-922 is 306978-13-2.
What is the molecular formula of 12H-922?
The molecular formula of 12H-922 is C17H13ClF3N5O2S.
What is the molecular weight of 12H-922?
The molecular weight of 12H-922 is 443.04 g/mol.
Where can I buy 12H-922?
You can request a quote for 12H-922 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12H-922?
Yes, KEHONG BIO provides custom synthesis services for 12H-922 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.