AN-329/41574544
TL;DR: AN-329/41574544 (CAS 642973-68-0) is a chemical compound with molecular formula C17H17BrN2O4S2 and molecular weight 455.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(5-bromofuran-2-carbonyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AN-329/41574544, ethyl 2-({[(5-bromo-2-furoyl)amino]carbonothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-({[(5-bromo-2-furoyl)amino]carbothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[(5-bromofuran-2-carbonyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-({[(5-bromofuran-2-yl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C17H17BrN2O4S2 |
|---|---|
| Molecular Weight | 455.98 g/mol |
| LogP | 4.2859 |
| Topological Polar Surface Area | 80.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 455.98132 |
| Heavy Atoms | 26 |
| Complexity | 859.0652 |
Chemical Identifiers
| CAS Number | 642973-68-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C3=CC=C(O3)Br |
Product Overview
AN-329/41574544 (CAS 642973-68-0), with molecular formula C17H17BrN2O4S2 and molecular weight 455.98 g/mol. IUPAC: ethyl 2-[(5-bromofuran-2-carbonyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AN-329/41574544
Property Insights of AN-329/41574544
The XLogP value of 4.2859 indicates that AN-329/41574544 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.57 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-329/41574544. Following Lipinski's Rule of Five, AN-329/41574544 has 2 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 AN-329/41574544?
The CAS number of AN-329/41574544 is 642973-68-0.
What is the molecular formula of AN-329/41574544?
The molecular formula of AN-329/41574544 is C17H17BrN2O4S2.
What is the molecular weight of AN-329/41574544?
The molecular weight of AN-329/41574544 is 455.98 g/mol.
Where can I buy AN-329/41574544?
You can request a quote for AN-329/41574544 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-329/41574544?
Yes, KEHONG BIO provides custom synthesis services for AN-329/41574544 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.