BAS 00541232
TL;DR: BAS 00541232 (CAS 354542-04-4) is a chemical compound with molecular formula C18H16Cl2N2O2S and molecular weight 394.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dichlorophenoxy)acetamide
Also Known As: BAS 00541232, BIM-0024824.P001, N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dichlorophenoxy)acetamide, 2-(2,4-dichlorophenoxy)-N-(3-cyano-6-methyl(4,5,6,7-tetrahydrobenzo[b]thiophen -2-yl))acetamide, N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-(2,4-dichlorophenoxy)acetamide
| Molecular Formula | C18H16Cl2N2O2S |
|---|---|
| Molecular Weight | 394.03 g/mol |
| LogP | 5.06888 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.03094 |
| Heavy Atoms | 25 |
| Complexity | 857.49146 |
Chemical Identifiers
| CAS Number | 354542-04-4 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C#N)NC(=O)COC3=C(C=C(C=C3)Cl)Cl |
Product Overview
BAS 00541232 (CAS 354542-04-4), with molecular formula C18H16Cl2N2O2S and molecular weight 394.03 g/mol. IUPAC: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dichlorophenoxy)acetamide.
Chemical Property Profile of BAS 00541232
Property Insights of BAS 00541232
The XLogP value of 5.06888 indicates that BAS 00541232 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 BAS 00541232. Following Lipinski's Rule of Five, BAS 00541232 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 BAS 00541232?
The CAS number of BAS 00541232 is 354542-04-4.
What is the molecular formula of BAS 00541232?
The molecular formula of BAS 00541232 is C18H16Cl2N2O2S.
What is the molecular weight of BAS 00541232?
The molecular weight of BAS 00541232 is 394.03 g/mol.
Where can I buy BAS 00541232?
You can request a quote for BAS 00541232 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00541232?
Yes, KEHONG BIO provides custom synthesis services for BAS 00541232 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.