A3529/0149463
TL;DR: A3529/0149463 (CAS 695205-15-3) is a chemical compound with molecular formula C23H29FN4O2S and molecular weight 444.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]propylcarbamothioylamino]benzoate
Also Known As: A3529/0149463, ethyl 4-[({3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}carbamothioyl)amino]benzoate, ethyl 4-(3-(3-(4-(4-fluorophenyl)piperazin-1-yl)propyl)thioureido)benzoate, ethyl 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]propylcarbamothioylamino]benzoate
| Molecular Formula | C23H29FN4O2S |
|---|---|
| Molecular Weight | 444.20 g/mol |
| LogP | 3.5011 |
| Topological Polar Surface Area | 56.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 444.19952 |
| Heavy Atoms | 31 |
| Complexity | 852.88513 |
Chemical Identifiers
| CAS Number | 695205-15-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCCN2CCN(CC2)C3=CC=C(C=C3)F |
Product Overview
A3529/0149463 (CAS 695205-15-3), with molecular formula C23H29FN4O2S and molecular weight 444.20 g/mol. IUPAC: ethyl 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]propylcarbamothioylamino]benzoate.
Chemical Property Profile of A3529/0149463
Property Insights of A3529/0149463
The XLogP value of 3.5011 indicates that A3529/0149463 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.84 Ų, A3529/0149463 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3529/0149463 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3529/0149463?
The CAS number of A3529/0149463 is 695205-15-3.
What is the molecular formula of A3529/0149463?
The molecular formula of A3529/0149463 is C23H29FN4O2S.
What is the molecular weight of A3529/0149463?
The molecular weight of A3529/0149463 is 444.20 g/mol.
Where can I buy A3529/0149463?
You can request a quote for A3529/0149463 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3529/0149463?
Yes, KEHONG BIO provides custom synthesis services for A3529/0149463 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.