2J-947
TL;DR: 2J-947 (CAS 338772-90-0) is a chemical compound with molecular formula C16H13N3O4S and molecular weight 343.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(4-nitrophenyl)sulfanyl-4,5-dihydroimidazol-1-yl]benzoic acid
Also Known As: 2J-947, 4-{2-[(4-nitrophenyl)sulfanyl]-4,5-dihydro-1H-imidazol-1-yl}benzoic acid, 4-[2-(4-nitrophenyl)sulfanyl-4,5-dihydroimidazol-1-yl]benzoic Acid, 4-{2-[(4-nitrophenyl)sulfanyl]-4,5-dihydro-1H-imidazol-1-yl}benzenecarboxylic acid, 4-{2-[(4-Nitrophenyl)sulfanyl]-4,5-dihydro-1H- imidazol-1-yl}benzenecarboxylic acid
| Molecular Formula | C16H13N3O4S |
|---|---|
| Molecular Weight | 343.06 g/mol |
| LogP | 3.2613 |
| Topological Polar Surface Area | 96.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.06268 |
| Heavy Atoms | 24 |
| Complexity | 803.07715 |
Chemical Identifiers
| CAS Number | 338772-90-0 |
|---|---|
| SMILES | C1CN(C(=N1)SC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)C(=O)O |
Product Overview
2J-947 (CAS 338772-90-0), with molecular formula C16H13N3O4S and molecular weight 343.06 g/mol. IUPAC: 4-[2-(4-nitrophenyl)sulfanyl-4,5-dihydroimidazol-1-yl]benzoic acid.
Chemical Property Profile of 2J-947
Property Insights of 2J-947
The XLogP value of 3.2613 indicates that 2J-947 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 2J-947. Following Lipinski's Rule of Five, 2J-947 has 1 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 2J-947?
The CAS number of 2J-947 is 338772-90-0.
What is the molecular formula of 2J-947?
The molecular formula of 2J-947 is C16H13N3O4S.
What is the molecular weight of 2J-947?
The molecular weight of 2J-947 is 343.06 g/mol.
Where can I buy 2J-947?
You can request a quote for 2J-947 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2J-947?
Yes, KEHONG BIO provides custom synthesis services for 2J-947 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.