BAS 00247452
TL;DR: BAS 00247452 (CAS 324018-03-3) is a chemical compound with molecular formula C17H22Cl3N3O3S2 and molecular weight 485.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2,2,2-trichloro-1-(propanoylamino)ethyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00247452, ethyl 2-[({[2,2,2-trichloro-1-(propionylamino)ethyl]amino}carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[[2,2,2-trichloro-1-(propanoylamino)ethyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-({[2,2,2-trichloro-1-(propanoylamino)ethyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(3-(2,2,2-trichloro-1-propionamidoethyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C17H22Cl3N3O3S2 |
|---|---|
| Molecular Weight | 485.02 g/mol |
| LogP | 4.3125 |
| Topological Polar Surface Area | 79.46 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 485.0168 |
| Heavy Atoms | 28 |
| Complexity | 749.9866 |
Chemical Identifiers
| CAS Number | 324018-03-3 |
|---|---|
| SMILES | CCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=C(C2=C(S1)CCCC2)C(=O)OCC |
Product Overview
BAS 00247452 (CAS 324018-03-3), with molecular formula C17H22Cl3N3O3S2 and molecular weight 485.02 g/mol. IUPAC: ethyl 2-[[2,2,2-trichloro-1-(propanoylamino)ethyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00247452
Property Insights of BAS 00247452
The XLogP value of 4.3125 indicates that BAS 00247452 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.46 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00247452. Following Lipinski's Rule of Five, BAS 00247452 has 3 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 00247452?
The CAS number of BAS 00247452 is 324018-03-3.
What is the molecular formula of BAS 00247452?
The molecular formula of BAS 00247452 is C17H22Cl3N3O3S2.
What is the molecular weight of BAS 00247452?
The molecular weight of BAS 00247452 is 485.02 g/mol.
Where can I buy BAS 00247452?
You can request a quote for BAS 00247452 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00247452?
Yes, KEHONG BIO provides custom synthesis services for BAS 00247452 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.