3N-739
TL;DR: 3N-739 (CAS 338416-24-3) is a chemical compound with molecular formula C20H16ClF3N4OS and molecular weight 452.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methyl-2-methylsulfanyl-5,6-dihydropyrrolo[2,3-d]pyrimidine
Also Known As: 3N-739, 7-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}phenyl)-4-methyl-2-(methylsulfanyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine, 7-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-4-methyl-2-methylsulfanyl-5,6-dihydropyrrolo[2,3-d]pyrimidine, 3-chloro-2-{4-[4-methyl-2-(methylsulfanyl)-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-7-yl]phenoxy}-5-(trifluoromethyl)pyridine
| Molecular Formula | C20H16ClF3N4OS |
|---|---|
| Molecular Weight | 452.07 g/mol |
| LogP | 6.06062 |
| Topological Polar Surface Area | 51.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 452.06854 |
| Heavy Atoms | 30 |
| Complexity | 1092.645 |
Chemical Identifiers
| CAS Number | 338416-24-3 |
|---|---|
| SMILES | CC1=C2CCN(C2=NC(=N1)SC)C3=CC=C(C=C3)OC4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
3N-739 (CAS 338416-24-3), with molecular formula C20H16ClF3N4OS and molecular weight 452.07 g/mol. IUPAC: 7-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methyl-2-methylsulfanyl-5,6-dihydropyrrolo[2,3-d]pyrimidine.
Chemical Property Profile of 3N-739
Property Insights of 3N-739
The XLogP value of 6.06062 indicates that 3N-739 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.14 Ų, 3N-739 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3N-739 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3N-739?
The CAS number of 3N-739 is 338416-24-3.
What is the molecular formula of 3N-739?
The molecular formula of 3N-739 is C20H16ClF3N4OS.
What is the molecular weight of 3N-739?
The molecular weight of 3N-739 is 452.07 g/mol.
Where can I buy 3N-739?
You can request a quote for 3N-739 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3N-739?
Yes, KEHONG BIO provides custom synthesis services for 3N-739 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.