AN-329/42724776
TL;DR: AN-329/42724776 (CAS 817568-93-7) is a chemical compound with molecular formula C18H24BrN3O3S and molecular weight 441.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 4-[(3-bromo-4-methylbenzoyl)carbamothioyl]piperazine-1-carboxylate
Also Known As: AN-329/42724776, tert-butyl 4-{[(3-bromo-4-methylbenzoyl)amino]carbonothioyl}-1-piperazinecarboxylate, tert-butyl 4-[(3-bromo-4-methylbenzoyl)carbamothioyl]piperazine-1-carboxylate, tert-butyl 4-{[(3-bromo-4-methylbenzoyl)amino]carbothioyl}-1-piperazinecarboxylate, tert-butyl 4-{[(3-bromo-4-methylphenyl)carbonyl]carbamothioyl}piperazine-1-carboxylate
| Molecular Formula | C18H24BrN3O3S |
|---|---|
| Molecular Weight | 441.07 g/mol |
| LogP | 3.32492 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 441.07217 |
| Heavy Atoms | 26 |
| Complexity | 710.1231 |
Chemical Identifiers
| CAS Number | 817568-93-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C(=O)OC(C)(C)C)Br |
Product Overview
AN-329/42724776 (CAS 817568-93-7), with molecular formula C18H24BrN3O3S and molecular weight 441.07 g/mol. IUPAC: tert-butyl 4-[(3-bromo-4-methylbenzoyl)carbamothioyl]piperazine-1-carboxylate.
Chemical Property Profile of AN-329/42724776
Property Insights of AN-329/42724776
The XLogP value of 3.32492 indicates that AN-329/42724776 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-329/42724776. Following Lipinski's Rule of Five, AN-329/42724776 has 1 hydrogen bond donor(s) and 4 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 AN-329/42724776?
The CAS number of AN-329/42724776 is 817568-93-7.
What is the molecular formula of AN-329/42724776?
The molecular formula of AN-329/42724776 is C18H24BrN3O3S.
What is the molecular weight of AN-329/42724776?
The molecular weight of AN-329/42724776 is 441.07 g/mol.
Where can I buy AN-329/42724776?
You can request a quote for AN-329/42724776 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-329/42724776?
Yes, KEHONG BIO provides custom synthesis services for AN-329/42724776 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.