AN-329/15538177
TL;DR: AN-329/15538177 (CAS 356103-36-1) is a chemical compound with molecular formula C20H21Cl2NO4S and molecular weight 441.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-(2,4-dichlorophenoxy)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AN-329/15538177, methyl 2-{[4-(2,4-dichlorophenoxy)butanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-[4-(2,4-dichlorophenoxy)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-[4-(2,4-dichlorophenoxy)butanoylamino]-4,5,6,7-tetrahydrobenzo[b]thio phene-3-carboxylate
| Molecular Formula | C20H21Cl2NO4S |
|---|---|
| Molecular Weight | 441.06 g/mol |
| LogP | 5.518 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 441.05682 |
| Heavy Atoms | 28 |
| Complexity | 881.33093 |
Chemical Identifiers
| CAS Number | 356103-36-1 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCCOC3=C(C=C(C=C3)Cl)Cl |
Product Overview
AN-329/15538177 (CAS 356103-36-1), with molecular formula C20H21Cl2NO4S and molecular weight 441.06 g/mol. IUPAC: methyl 2-[4-(2,4-dichlorophenoxy)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AN-329/15538177
Property Insights of AN-329/15538177
The XLogP value of 5.518 indicates that AN-329/15538177 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-329/15538177. Following Lipinski's Rule of Five, AN-329/15538177 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-329/15538177?
The CAS number of AN-329/15538177 is 356103-36-1.
What is the molecular formula of AN-329/15538177?
The molecular formula of AN-329/15538177 is C20H21Cl2NO4S.
What is the molecular weight of AN-329/15538177?
The molecular weight of AN-329/15538177 is 441.06 g/mol.
Where can I buy AN-329/15538177?
You can request a quote for AN-329/15538177 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-329/15538177?
Yes, KEHONG BIO provides custom synthesis services for AN-329/15538177 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.