BAS 00543949
TL;DR: BAS 00543949 (CAS 354542-33-9) is a chemical compound with molecular formula C20H24ClNO4S and molecular weight 409.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-(4-chloro-2-methylphenoxy)butanoylamino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: BAS 00543949, ethyl 2-[4-(4-chloro-2-methylphenoxy)butanoylamino]-4,5-dimethylthiophene-3-carboxylate, ethyl 2-{[4-(4-chloro-2-methylphenoxy)butanoyl]amino}-4,5-dimethyl-3-thiophenecarboxylate, ethyl 2-(4-(4-chloro-2-methylphenoxy)butanamido)-4,5-dimethylthiophene-3-carboxylate, ethyl 2-[4-(4-chloro-2-methylphenoxy)butanamido]-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C20H24ClNO4S |
|---|---|
| Molecular Weight | 409.11 g/mol |
| LogP | 5.30116 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 409.11145 |
| Heavy Atoms | 27 |
| Complexity | 831.62946 |
Chemical Identifiers
| CAS Number | 354542-33-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCCOC2=C(C=C(C=C2)Cl)C |
Product Overview
BAS 00543949 (CAS 354542-33-9), with molecular formula C20H24ClNO4S and molecular weight 409.11 g/mol. IUPAC: ethyl 2-[4-(4-chloro-2-methylphenoxy)butanoylamino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of BAS 00543949
Property Insights of BAS 00543949
The XLogP value of 5.30116 indicates that BAS 00543949 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 BAS 00543949. Following Lipinski's Rule of Five, BAS 00543949 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 BAS 00543949?
The CAS number of BAS 00543949 is 354542-33-9.
What is the molecular formula of BAS 00543949?
The molecular formula of BAS 00543949 is C20H24ClNO4S.
What is the molecular weight of BAS 00543949?
The molecular weight of BAS 00543949 is 409.11 g/mol.
Where can I buy BAS 00543949?
You can request a quote for BAS 00543949 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00543949?
Yes, KEHONG BIO provides custom synthesis services for BAS 00543949 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.