A3246/0137914
TL;DR: A3246/0137914 (CAS 1030856-28-0) is a chemical compound with molecular formula C28H26FN3O5S and molecular weight 535.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-[(4-fluorophenyl)methyl]-4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate
Also Known As: A3246/0137914, ethyl 4-[3-(4-fluorobenzyl)-4-{2-[(4-methoxyphenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl]benzoate, ethyl 4-(3-(4-fluorobenzyl)-4-(2-((4-methoxyphenyl)amino)-2-oxoethyl)-5-oxo-2-thioxoimidazolidin-1-yl)benzoate, ethyl 4-[3-[(4-fluorophenyl)methyl]-4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate, ETHYL 4-{3-(4-FLUOROBENZYL)-4-[2-(4-METHOXYANILINO)-2-OXOETHYL]-5-OXO-2-THIOXO-1-IMIDAZOLIDINYL}BENZOATE
| Molecular Formula | C28H26FN3O5S |
|---|---|
| Molecular Weight | 535.16 g/mol |
| LogP | 4.5421 |
| Topological Polar Surface Area | 88.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 535.1577 |
| Heavy Atoms | 38 |
| Complexity | 1330.1049 |
Chemical Identifiers
| CAS Number | 1030856-28-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(N(C2=S)CC3=CC=C(C=C3)F)CC(=O)NC4=CC=C(C=C4)OC |
Product Overview
A3246/0137914 (CAS 1030856-28-0), with molecular formula C28H26FN3O5S and molecular weight 535.16 g/mol. IUPAC: ethyl 4-[3-[(4-fluorophenyl)methyl]-4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate.
Chemical Property Profile of A3246/0137914
Property Insights of A3246/0137914
The XLogP value of 4.5421 indicates that A3246/0137914 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.18 Ų falls within the moderate polarity range, balancing permeability and solubility for A3246/0137914. Following Lipinski's Rule of Five, A3246/0137914 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3246/0137914?
The CAS number of A3246/0137914 is 1030856-28-0.
What is the molecular formula of A3246/0137914?
The molecular formula of A3246/0137914 is C28H26FN3O5S.
What is the molecular weight of A3246/0137914?
The molecular weight of A3246/0137914 is 535.16 g/mol.
Where can I buy A3246/0137914?
You can request a quote for A3246/0137914 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3246/0137914?
Yes, KEHONG BIO provides custom synthesis services for A3246/0137914 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.