A3246/0137890
TL;DR: A3246/0137890 (CAS 1024018-39-0) is a chemical compound with molecular formula C29H28FN3O5S and molecular weight 549.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-[2-(4-fluoroanilino)-2-oxoethyl]-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate
Also Known As: A3246/0137890, ethyl 4-(4-(2-((4-fluorophenyl)amino)-2-oxoethyl)-3-(4-methoxyphenethyl)-5-oxo-2-thioxoimidazolidin-1-yl)benzoate, ethyl 4-(4-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-thioxoimidazolidin-1-yl)benzoate, ETHYL 4-[4-[2-(4-FLUOROANILINO)-2-OXOETHYL]-3-(4-METHOXYPHENETHYL)-5-OXO-2-THIOXO-1-IMIDAZOLIDINYL]BENZOATE, ethyl 4-[4-[2-(4-fluoroanilino)-2-oxoethyl]-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate
| Molecular Formula | C29H28FN3O5S |
|---|---|
| Molecular Weight | 549.17 g/mol |
| LogP | 4.5846 |
| Topological Polar Surface Area | 88.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 549.17334 |
| Heavy Atoms | 39 |
| Complexity | 1346.8458 |
Chemical Identifiers
| CAS Number | 1024018-39-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(N(C2=S)CCC3=CC=C(C=C3)OC)CC(=O)NC4=CC=C(C=C4)F |
Product Overview
A3246/0137890 (CAS 1024018-39-0), with molecular formula C29H28FN3O5S and molecular weight 549.17 g/mol. IUPAC: ethyl 4-[4-[2-(4-fluoroanilino)-2-oxoethyl]-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate.
Chemical Property Profile of A3246/0137890
Property Insights of A3246/0137890
The XLogP value of 4.5846 indicates that A3246/0137890 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 A3246/0137890. Following Lipinski's Rule of Five, A3246/0137890 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 A3246/0137890?
The CAS number of A3246/0137890 is 1024018-39-0.
What is the molecular formula of A3246/0137890?
The molecular formula of A3246/0137890 is C29H28FN3O5S.
What is the molecular weight of A3246/0137890?
The molecular weight of A3246/0137890 is 549.17 g/mol.
Where can I buy A3246/0137890?
You can request a quote for A3246/0137890 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3246/0137890?
Yes, KEHONG BIO provides custom synthesis services for A3246/0137890 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.