3N-716
TL;DR: 3N-716 (CAS 338416-05-0) is a chemical compound with molecular formula C21H21N3OS and molecular weight 363.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-7-(3-methoxyphenyl)-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine
Also Known As: 3N-716, 2-(benzylsulfanyl)-7-(3-methoxyphenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine, 2-benzylsulfanyl-7-(3-methoxyphenyl)-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine, 2-(benzylsulfanyl)-7-(3-methoxyphenyl)-4-methyl-5H,6H,7H-pyrrolo[2,3-d]pyrimidine
| Molecular Formula | C21H21N3OS |
|---|---|
| Molecular Weight | 363.14 g/mol |
| LogP | 4.78012 |
| Topological Polar Surface Area | 38.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.14053 |
| Heavy Atoms | 26 |
| Complexity | 914.3847 |
Chemical Identifiers
| CAS Number | 338416-05-0 |
|---|---|
| SMILES | CC1=C2CCN(C2=NC(=N1)SCC3=CC=CC=C3)C4=CC(=CC=C4)OC |
Product Overview
3N-716 (CAS 338416-05-0), with molecular formula C21H21N3OS and molecular weight 363.14 g/mol. IUPAC: 2-benzylsulfanyl-7-(3-methoxyphenyl)-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine.
Chemical Property Profile of 3N-716
Property Insights of 3N-716
The XLogP value of 4.78012 indicates that 3N-716 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.25 Ų, 3N-716 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3N-716 has 0 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 3N-716?
The CAS number of 3N-716 is 338416-05-0.
What is the molecular formula of 3N-716?
The molecular formula of 3N-716 is C21H21N3OS.
What is the molecular weight of 3N-716?
The molecular weight of 3N-716 is 363.14 g/mol.
Where can I buy 3N-716?
You can request a quote for 3N-716 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3N-716?
Yes, KEHONG BIO provides custom synthesis services for 3N-716 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.