AN-329/41328761
TL;DR: AN-329/41328761 (CAS 435285-75-9) is a chemical compound with molecular formula C20H22BrNO4S and molecular weight 451.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AN-329/41328761, ethyl 2-{[(4-bromo-2-methylphenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(2-(4-bromo-2-methylphenoxy)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C20H22BrNO4S |
|---|---|
| Molecular Weight | 451.05 g/mol |
| LogP | 4.89202 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 451.0453 |
| Heavy Atoms | 27 |
| Complexity | 861.90686 |
Chemical Identifiers
| CAS Number | 435285-75-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC3=C(C=C(C=C3)Br)C |
Product Overview
AN-329/41328761 (CAS 435285-75-9), with molecular formula C20H22BrNO4S and molecular weight 451.05 g/mol. IUPAC: ethyl 2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AN-329/41328761
Property Insights of AN-329/41328761
The XLogP value of 4.89202 indicates that AN-329/41328761 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-329/41328761. Following Lipinski's Rule of Five, AN-329/41328761 has 1 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 AN-329/41328761?
The CAS number of AN-329/41328761 is 435285-75-9.
What is the molecular formula of AN-329/41328761?
The molecular formula of AN-329/41328761 is C20H22BrNO4S.
What is the molecular weight of AN-329/41328761?
The molecular weight of AN-329/41328761 is 451.05 g/mol.
Where can I buy AN-329/41328761?
You can request a quote for AN-329/41328761 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-329/41328761?
Yes, KEHONG BIO provides custom synthesis services for AN-329/41328761 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.