A3246/0137899
TL;DR: A3246/0137899 (CAS 1031209-03-6) is a chemical compound with molecular formula C29H28ClN3O4S and molecular weight 549.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[1-benzyl-3-[2-(4-chlorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
Also Known As: A3246/0137899, ETHYL 4-({2-[1-BENZYL-3-(4-CHLOROPHENETHYL)-5-OXO-2-THIOXO-4-IMIDAZOLIDINYL]ACETYL}AMINO)BENZOATE, ethyl 4-(2-(1-benzyl-3-(4-chlorophenethyl)-5-oxo-2-thioxoimidazolidin-4-yl)acetamido)benzoate, ethyl 4-[({1-benzyl-3-[2-(4-chlorophenyl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate, ethyl 4-[[2-[1-benzyl-3-[2-(4-chlorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
| Molecular Formula | C29H28ClN3O4S |
|---|---|
| Molecular Weight | 549.15 g/mol |
| LogP | 5.0859 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 549.1489 |
| Heavy Atoms | 38 |
| Complexity | 1299.6632 |
Chemical Identifiers
| CAS Number | 1031209-03-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCC3=CC=C(C=C3)Cl)CC4=CC=CC=C4 |
Product Overview
A3246/0137899 (CAS 1031209-03-6), with molecular formula C29H28ClN3O4S and molecular weight 549.15 g/mol. IUPAC: ethyl 4-[[2-[1-benzyl-3-[2-(4-chlorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate.
Chemical Property Profile of A3246/0137899
Property Insights of A3246/0137899
The XLogP value of 5.0859 indicates that A3246/0137899 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.95 Ų falls within the moderate polarity range, balancing permeability and solubility for A3246/0137899. Following Lipinski's Rule of Five, A3246/0137899 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3246/0137899?
The CAS number of A3246/0137899 is 1031209-03-6.
What is the molecular formula of A3246/0137899?
The molecular formula of A3246/0137899 is C29H28ClN3O4S.
What is the molecular weight of A3246/0137899?
The molecular weight of A3246/0137899 is 549.15 g/mol.
Where can I buy A3246/0137899?
You can request a quote for A3246/0137899 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3246/0137899?
Yes, KEHONG BIO provides custom synthesis services for A3246/0137899 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.