BAS 00354780
TL;DR: BAS 00354780 (CAS 302822-32-8) is a chemical compound with molecular formula C17H23Cl3N2O5S and molecular weight 472.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-[[1-(butanoylamino)-2,2,2-trichloroethyl]amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: BAS 00354780, F0095-1748, 2,4-DIETHYL 5-[(1-BUTANAMIDO-2,2,2-TRICHLOROETHYL)AMINO]-3-METHYLTHIOPHENE-2,4-DICARBOXYLATE, diethyl 5-((1-butyramido-2,2,2-trichloroethyl)amino)-3-methylthiophene-2,4-dicarboxylate, diethyl 5-[[1-(butanoylamino)-2,2,2-trichloroethyl]amino]-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C17H23Cl3N2O5S |
|---|---|
| Molecular Weight | 472.04 g/mol |
| LogP | 4.43442 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 472.03934 |
| Heavy Atoms | 28 |
| Complexity | 718.3814 |
Chemical Identifiers
| CAS Number | 302822-32-8 |
|---|---|
| SMILES | CCCC(=O)NC(C(Cl)(Cl)Cl)NC1=C(C(=C(S1)C(=O)OCC)C)C(=O)OCC |
Product Overview
BAS 00354780 (CAS 302822-32-8), with molecular formula C17H23Cl3N2O5S and molecular weight 472.04 g/mol. IUPAC: diethyl 5-[[1-(butanoylamino)-2,2,2-trichloroethyl]amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of BAS 00354780
Property Insights of BAS 00354780
The XLogP value of 4.43442 indicates that BAS 00354780 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.73 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00354780. Following Lipinski's Rule of Five, BAS 00354780 has 2 hydrogen bond donor(s) and 7 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 BAS 00354780?
The CAS number of BAS 00354780 is 302822-32-8.
What is the molecular formula of BAS 00354780?
The molecular formula of BAS 00354780 is C17H23Cl3N2O5S.
What is the molecular weight of BAS 00354780?
The molecular weight of BAS 00354780 is 472.04 g/mol.
Where can I buy BAS 00354780?
You can request a quote for BAS 00354780 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00354780?
Yes, KEHONG BIO provides custom synthesis services for BAS 00354780 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.