A2976/0125436
TL;DR: A2976/0125436 (CAS 956949-73-8) is a chemical compound with molecular formula C18H15BrN4O3S and molecular weight 446.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(2-amino-2-oxoethyl)-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]-4-bromobenzamide
Also Known As: A2976/0125436, N-[5-(2-amino-2-oxoethyl)-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]-4-bromobenzamide, N-[5-(2-amino-2-oxoethyl)-4-oxo-3-phenyl-2-thioxoimidazolidin-1-yl]-4-bromobenzamide, N-(5-(2-amino-2-oxoethyl)-4-oxo-3-phenyl-2-thioxoimidazolidin-1-yl)-4-bromobenzamide, 4-BROMO-N-[5-(CARBAMOYLMETHYL)-4-OXO-3-PHENYL-2-SULFANYLIDENEIMIDAZOLIDIN-1-YL]BENZAMIDE
| Molecular Formula | C18H15BrN4O3S |
|---|---|
| Molecular Weight | 446.00 g/mol |
| LogP | 1.9716 |
| Topological Polar Surface Area | 95.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.00482 |
| Heavy Atoms | 27 |
| Complexity | 904.5826 |
Chemical Identifiers
| CAS Number | 956949-73-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C(N(C2=S)NC(=O)C3=CC=C(C=C3)Br)CC(=O)N |
Product Overview
A2976/0125436 (CAS 956949-73-8), with molecular formula C18H15BrN4O3S and molecular weight 446.00 g/mol. IUPAC: N-[5-(2-amino-2-oxoethyl)-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]-4-bromobenzamide.
Chemical Property Profile of A2976/0125436
Property Insights of A2976/0125436
The XLogP value of 1.9716 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2976/0125436. The TPSA of 95.74 Ų falls within the moderate polarity range, balancing permeability and solubility for A2976/0125436. Following Lipinski's Rule of Five, A2976/0125436 has 2 hydrogen bond donor(s) and 4 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 A2976/0125436?
The CAS number of A2976/0125436 is 956949-73-8.
What is the molecular formula of A2976/0125436?
The molecular formula of A2976/0125436 is C18H15BrN4O3S.
What is the molecular weight of A2976/0125436?
The molecular weight of A2976/0125436 is 446.00 g/mol.
Where can I buy A2976/0125436?
You can request a quote for A2976/0125436 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2976/0125436?
Yes, KEHONG BIO provides custom synthesis services for A2976/0125436 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.