BAS 00463215
TL;DR: BAS 00463215 (CAS 53162-54-2) is a chemical compound with molecular formula C19H20N2O3S2 and molecular weight 388.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]thiophene-3-carboxylate
Also Known As: BAS 00463215, (E)-ethyl 2-(3-cinnamoylthioureido)-4,5-dimethylthiophene-3-carboxylate, ethyl 2-{[(cinnamoylamino)carbothioyl]amino}-4,5-dimethyl-3-thiophenecarboxylate, ethyl 4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]thiophene-3-carboxylate, ethyl 2-{[((2E)-3-phenylprop-2-enoylamino)thioxomethyl]amino}-4,5-dimethylthio phene-3-carboxylate
| Molecular Formula | C19H20N2O3S2 |
|---|---|
| Molecular Weight | 388.09 g/mol |
| LogP | 4.06804 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.09152 |
| Heavy Atoms | 26 |
| Complexity | 841.9692 |
Chemical Identifiers
| CAS Number | 53162-54-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC(=O)/C=C/C2=CC=CC=C2 |
Product Overview
BAS 00463215 (CAS 53162-54-2), with molecular formula C19H20N2O3S2 and molecular weight 388.09 g/mol. IUPAC: ethyl 4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]thiophene-3-carboxylate.
Chemical Property Profile of BAS 00463215
Property Insights of BAS 00463215
The XLogP value of 4.06804 indicates that BAS 00463215 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00463215. Following Lipinski's Rule of Five, BAS 00463215 has 2 hydrogen bond donor(s) and 5 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 00463215?
The CAS number of BAS 00463215 is 53162-54-2.
What is the molecular formula of BAS 00463215?
The molecular formula of BAS 00463215 is C19H20N2O3S2.
What is the molecular weight of BAS 00463215?
The molecular weight of BAS 00463215 is 388.09 g/mol.
Where can I buy BAS 00463215?
You can request a quote for BAS 00463215 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00463215?
Yes, KEHONG BIO provides custom synthesis services for BAS 00463215 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.