AN-988/41479378
TL;DR: AN-988/41479378 (CAS 544656-17-9) is a chemical compound with molecular formula C21H22Cl2N2O2S and molecular weight 436.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dichlorophenoxy)acetamide
Also Known As: AN-988/41479378, N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-(2,4-dichlorophenoxy)acetamide, N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dichlorophenoxy)acetamide
| Molecular Formula | C21H22Cl2N2O2S |
|---|---|
| Molecular Weight | 436.08 g/mol |
| LogP | 6.09508 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 436.0779 |
| Heavy Atoms | 28 |
| Complexity | 941.10297 |
Chemical Identifiers
| CAS Number | 544656-17-9 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)COC3=C(C=C(C=C3)Cl)Cl |
Product Overview
AN-988/41479378 (CAS 544656-17-9), with molecular formula C21H22Cl2N2O2S and molecular weight 436.08 g/mol. IUPAC: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dichlorophenoxy)acetamide.
Chemical Property Profile of AN-988/41479378
Property Insights of AN-988/41479378
The XLogP value of 6.09508 indicates that AN-988/41479378 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-988/41479378. Following Lipinski's Rule of Five, AN-988/41479378 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-988/41479378?
The CAS number of AN-988/41479378 is 544656-17-9.
What is the molecular formula of AN-988/41479378?
The molecular formula of AN-988/41479378 is C21H22Cl2N2O2S.
What is the molecular weight of AN-988/41479378?
The molecular weight of AN-988/41479378 is 436.08 g/mol.
Where can I buy AN-988/41479378?
You can request a quote for AN-988/41479378 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-988/41479378?
Yes, KEHONG BIO provides custom synthesis services for AN-988/41479378 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.