AN-329/41471996
TL;DR: AN-329/41471996 (CAS 449750-60-1) 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.
methyl 2-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AN-329/41471996, methyl 2-{[(4-bromo-2,6-dimethylphenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C20H22BrNO4S |
|---|---|
| Molecular Weight | 451.05 g/mol |
| LogP | 4.81034 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 451.0453 |
| Heavy Atoms | 27 |
| Complexity | 867.3422 |
Chemical Identifiers
| CAS Number | 449750-60-1 |
|---|---|
| SMILES | CC1=CC(=CC(=C1OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)C)Br |
Product Overview
AN-329/41471996 (CAS 449750-60-1), with molecular formula C20H22BrNO4S and molecular weight 451.05 g/mol. IUPAC: methyl 2-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AN-329/41471996
Property Insights of AN-329/41471996
The XLogP value of 4.81034 indicates that AN-329/41471996 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-329/41471996. Following Lipinski's Rule of Five, AN-329/41471996 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-329/41471996?
The CAS number of AN-329/41471996 is 449750-60-1.
What is the molecular formula of AN-329/41471996?
The molecular formula of AN-329/41471996 is C20H22BrNO4S.
What is the molecular weight of AN-329/41471996?
The molecular weight of AN-329/41471996 is 451.05 g/mol.
Where can I buy AN-329/41471996?
You can request a quote for AN-329/41471996 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-329/41471996?
Yes, KEHONG BIO provides custom synthesis services for AN-329/41471996 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.