BAS 00247559
TL;DR: BAS 00247559 (CAS 405060-95-9) is a chemical compound with molecular formula C21H17Cl3N4OS and molecular weight 478.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-phenyl-N-[(1R)-2,2,2-trichloro-1-(quinolin-8-ylcarbamothioylamino)ethyl]prop-2-enamide
Also Known As: BAS 00247559, (E)-3-phenyl-N-[(1R)-2,2,2-trichloro-1-(quinolin-8-ylcarbamothioylamino)ethyl]prop-2-enamide
| Molecular Formula | C21H17Cl3N4OS |
|---|---|
| Molecular Weight | 478.02 g/mol |
| LogP | 5.0471 |
| Topological Polar Surface Area | 66.05 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 478.01886 |
| Heavy Atoms | 30 |
| Complexity | 1065.2894 |
Chemical Identifiers
| CAS Number | 405060-95-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/C(=O)N[C@@H](C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3 |
Product Overview
BAS 00247559 (CAS 405060-95-9), with molecular formula C21H17Cl3N4OS and molecular weight 478.02 g/mol. IUPAC: (E)-3-phenyl-N-[(1R)-2,2,2-trichloro-1-(quinolin-8-ylcarbamothioylamino)ethyl]prop-2-enamide.
Chemical Property Profile of BAS 00247559
Property Insights of BAS 00247559
The XLogP value of 5.0471 indicates that BAS 00247559 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.05 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00247559. Following Lipinski's Rule of Five, BAS 00247559 has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00247559?
The CAS number of BAS 00247559 is 405060-95-9.
What is the molecular formula of BAS 00247559?
The molecular formula of BAS 00247559 is C21H17Cl3N4OS.
What is the molecular weight of BAS 00247559?
The molecular weight of BAS 00247559 is 478.02 g/mol.
Where can I buy BAS 00247559?
You can request a quote for BAS 00247559 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00247559?
Yes, KEHONG BIO provides custom synthesis services for BAS 00247559 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.