A3212/0136218
TL;DR: A3212/0136218 (CAS 956606-75-0) is a chemical compound with molecular formula C27H25FN4O3S and molecular weight 504.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-benzyl-5-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]-3-fluorobenzamide
Also Known As: A3212/0136218, N-(3-benzyl-5-{2-[(2,4-dimethylphenyl)amino]-2-oxoethyl}-4-oxo-2-thioxoimidazolidin-1-yl)-3-fluorobenzamide, N-(3-benzyl-5-(2-((2,4-dimethylphenyl)amino)-2-oxoethyl)-4-oxo-2-thioxoimidazolidin-1-yl)-3-fluorobenzamide, N-(3-BENZYL-5-{2-[(2,4-DIMETHYLPHENYL)AMINO]-2-OXOETHYL}-4-OXO-2-THIOXO-1-IMIDAZOLIDINYL)-3-FLUOROBENZAMIDE, N-[3-benzyl-5-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]-3-fluorobenzamide
| Molecular Formula | C27H25FN4O3S |
|---|---|
| Molecular Weight | 504.16 g/mol |
| LogP | 4.11404 |
| Topological Polar Surface Area | 81.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 504.16315 |
| Heavy Atoms | 36 |
| Complexity | 1331.6039 |
Chemical Identifiers
| CAS Number | 956606-75-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2NC(=O)C3=CC(=CC=C3)F)CC4=CC=CC=C4)C |
Product Overview
A3212/0136218 (CAS 956606-75-0), with molecular formula C27H25FN4O3S and molecular weight 504.16 g/mol. IUPAC: N-[3-benzyl-5-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]-3-fluorobenzamide.
Chemical Property Profile of A3212/0136218
Property Insights of A3212/0136218
The XLogP value of 4.11404 indicates that A3212/0136218 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.75 Ų falls within the moderate polarity range, balancing permeability and solubility for A3212/0136218. Following Lipinski's Rule of Five, A3212/0136218 has 2 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 A3212/0136218?
The CAS number of A3212/0136218 is 956606-75-0.
What is the molecular formula of A3212/0136218?
The molecular formula of A3212/0136218 is C27H25FN4O3S.
What is the molecular weight of A3212/0136218?
The molecular weight of A3212/0136218 is 504.16 g/mol.
Where can I buy A3212/0136218?
You can request a quote for A3212/0136218 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3212/0136218?
Yes, KEHONG BIO provides custom synthesis services for A3212/0136218 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.