A3240/0137611
TL;DR: A3240/0137611 (CAS 1031705-86-8) is a chemical compound with molecular formula C28H24FN3O6S and molecular weight 549.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-(1,3-benzodioxol-5-ylmethyl)-4-[2-(4-fluoroanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate
Also Known As: A3240/0137611, ethyl 4-[3-(1,3-benzodioxol-5-ylmethyl)-4-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl]benzoate, ethyl 4-(3-(benzo[d][1,3]dioxol-5-ylmethyl)-4-(2-((4-fluorophenyl)amino)-2-oxoethyl)-5-oxo-2-thioxoimidazolidin-1-yl)benzoate, ethyl 4-[3-(1,3-benzodioxol-5-ylmethyl)-4-[2-(4-fluoroanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate, ETHYL 4-{3-(1,3-BENZODIOXOL-5-YLMETHYL)-4-[2-(4-FLUOROANILINO)-2-OXOETHYL]-5-OXO-2-THIOXO-1-IMIDAZOLIDINYL}BENZOATE
| Molecular Formula | C28H24FN3O6S |
|---|---|
| Molecular Weight | 549.14 g/mol |
| LogP | 4.2622 |
| Topological Polar Surface Area | 97.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 549.13696 |
| Heavy Atoms | 39 |
| Complexity | 1430.2158 |
Chemical Identifiers
| CAS Number | 1031705-86-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(N(C2=S)CC3=CC4=C(C=C3)OCO4)CC(=O)NC5=CC=C(C=C5)F |
Product Overview
A3240/0137611 (CAS 1031705-86-8), with molecular formula C28H24FN3O6S and molecular weight 549.14 g/mol. IUPAC: ethyl 4-[3-(1,3-benzodioxol-5-ylmethyl)-4-[2-(4-fluoroanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate.
Chemical Property Profile of A3240/0137611
Property Insights of A3240/0137611
The XLogP value of 4.2622 indicates that A3240/0137611 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.41 Ų falls within the moderate polarity range, balancing permeability and solubility for A3240/0137611. Following Lipinski's Rule of Five, A3240/0137611 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3240/0137611?
The CAS number of A3240/0137611 is 1031705-86-8.
What is the molecular formula of A3240/0137611?
The molecular formula of A3240/0137611 is C28H24FN3O6S.
What is the molecular weight of A3240/0137611?
The molecular weight of A3240/0137611 is 549.14 g/mol.
Where can I buy A3240/0137611?
You can request a quote for A3240/0137611 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3240/0137611?
Yes, KEHONG BIO provides custom synthesis services for A3240/0137611 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.