BAS 00463218
TL;DR: BAS 00463218 (CAS 321971-40-8) is a chemical compound with molecular formula C21H22N2O5S2 and molecular weight 446.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3-methyl-5-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]thiophene-2,4-dicarboxylate
Also Known As: BAS 00463218, (E)-diethyl 5-(3-cinnamoylthioureido)-3-methylthiophene-2,4-dicarboxylate, diethyl 5-{[(cinnamoylamino)carbothioyl]amino}-3-methyl-2,4-thiophenedicarboxylate, 2,4-DIETHYL 3-METHYL-5-({[(2E)-3-PHENYLPROP-2-ENAMIDO]METHANETHIOYL}AMINO)THIOPHENE-2,4-DICARBOXYLATE, diethyl 3-methyl-5-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)thiophene-2,4-dicarboxylate
| Molecular Formula | C21H22N2O5S2 |
|---|---|
| Molecular Weight | 446.10 g/mol |
| LogP | 3.93632 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 446.09702 |
| Heavy Atoms | 30 |
| Complexity | 967.27637 |
Chemical Identifiers
| CAS Number | 321971-40-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(=O)/C=C/C2=CC=CC=C2 |
Product Overview
BAS 00463218 (CAS 321971-40-8), with molecular formula C21H22N2O5S2 and molecular weight 446.10 g/mol. IUPAC: diethyl 3-methyl-5-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]thiophene-2,4-dicarboxylate.
Chemical Property Profile of BAS 00463218
Property Insights of BAS 00463218
The XLogP value of 3.93632 indicates that BAS 00463218 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 00463218. Following Lipinski's Rule of Five, BAS 00463218 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 00463218?
The CAS number of BAS 00463218 is 321971-40-8.
What is the molecular formula of BAS 00463218?
The molecular formula of BAS 00463218 is C21H22N2O5S2.
What is the molecular weight of BAS 00463218?
The molecular weight of BAS 00463218 is 446.10 g/mol.
Where can I buy BAS 00463218?
You can request a quote for BAS 00463218 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00463218?
Yes, KEHONG BIO provides custom synthesis services for BAS 00463218 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.