2N-774
TL;DR: 2N-774 (CAS 338402-39-4) is a chemical compound with molecular formula C20H18BrN3S and molecular weight 411.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-7-(4-bromophenyl)-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine
Also Known As: 2N-774, 2-(benzylsulfanyl)-7-(4-bromophenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine, 2-(benzylsulfanyl)-7-(4-bromophenyl)-4-methyl-5H,6H,7H-pyrrolo[2,3-d]pyrimidine, 2-benzylsulfanyl-7-(4-bromophenyl)-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine
| Molecular Formula | C20H18BrN3S |
|---|---|
| Molecular Weight | 411.04 g/mol |
| LogP | 5.53402 |
| Topological Polar Surface Area | 29.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.04047 |
| Heavy Atoms | 25 |
| Complexity | 881.44806 |
Chemical Identifiers
| CAS Number | 338402-39-4 |
|---|---|
| SMILES | CC1=C2CCN(C2=NC(=N1)SCC3=CC=CC=C3)C4=CC=C(C=C4)Br |
Product Overview
2N-774 (CAS 338402-39-4), with molecular formula C20H18BrN3S and molecular weight 411.04 g/mol. IUPAC: 2-benzylsulfanyl-7-(4-bromophenyl)-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine.
Chemical Property Profile of 2N-774
Property Insights of 2N-774
The XLogP value of 5.53402 indicates that 2N-774 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.02 Ų, 2N-774 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2N-774 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2N-774?
The CAS number of 2N-774 is 338402-39-4.
What is the molecular formula of 2N-774?
The molecular formula of 2N-774 is C20H18BrN3S.
What is the molecular weight of 2N-774?
The molecular weight of 2N-774 is 411.04 g/mol.
Where can I buy 2N-774?
You can request a quote for 2N-774 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2N-774?
Yes, KEHONG BIO provides custom synthesis services for 2N-774 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.