BAS 03058301
TL;DR: BAS 03058301 (CAS 333758-53-5) is a chemical compound with molecular formula C22H25N3O4S and molecular weight 427.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]amino]benzoate
Also Known As: BAS 03058301, AJ-292/40706431, BRD-K54097140-001-01-5, ethyl 4-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonothioyl}amino)benzoate, 4-[(4-Benzo[1,3]dioxol-5-ylmethyl-piperazine-1-carbothioyl)-amino]-benzoic acid
| Molecular Formula | C22H25N3O4S |
|---|---|
| Molecular Weight | 427.16 g/mol |
| LogP | 3.1066 |
| Topological Polar Surface Area | 63.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.1566 |
| Heavy Atoms | 30 |
| Complexity | 911.0987 |
Chemical Identifiers
| CAS Number | 333758-53-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 |
Product Overview
BAS 03058301 (CAS 333758-53-5), with molecular formula C22H25N3O4S and molecular weight 427.16 g/mol. IUPAC: ethyl 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]amino]benzoate.
Chemical Property Profile of BAS 03058301
Property Insights of BAS 03058301
The XLogP value of 3.1066 indicates that BAS 03058301 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.27 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03058301. Following Lipinski's Rule of Five, BAS 03058301 has 1 hydrogen bond donor(s) and 6 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 BAS 03058301?
The CAS number of BAS 03058301 is 333758-53-5.
What is the molecular formula of BAS 03058301?
The molecular formula of BAS 03058301 is C22H25N3O4S.
What is the molecular weight of BAS 03058301?
The molecular weight of BAS 03058301 is 427.16 g/mol.
Where can I buy BAS 03058301?
You can request a quote for BAS 03058301 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03058301?
Yes, KEHONG BIO provides custom synthesis services for BAS 03058301 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.