BAS 00459780
TL;DR: BAS 00459780 (CAS 139739-77-8) is a chemical compound with molecular formula C17H11Cl4NO3S and molecular weight 448.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(NE)-4-methyl-N-(2,2,3,3-tetrachloro-4-oxonaphthalen-1-ylidene)benzenesulfonamide
Also Known As: BAS 00459780, 4-methyl-N-(2,2,3,3-tetrachloro-4-oxo-3,4-dihydro-1(2H)-naphthalenylidene)benzenesulfonamide, (NE)-4-methyl-N-(2,2,3,3-tetrachloro-4-oxonaphthalen-1-ylidene)benzenesulfonamide
| Molecular Formula | C17H11Cl4NO3S |
|---|---|
| Molecular Weight | 448.92 g/mol |
| LogP | 4.71712 |
| Topological Polar Surface Area | 63.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 448.9214 |
| Heavy Atoms | 26 |
| Complexity | 1028.2284 |
Chemical Identifiers
| CAS Number | 139739-77-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)/N=C/2\C3=CC=CC=C3C(=O)C(C2(Cl)Cl)(Cl)Cl |
Product Overview
BAS 00459780 (CAS 139739-77-8), with molecular formula C17H11Cl4NO3S and molecular weight 448.92 g/mol. IUPAC: (NE)-4-methyl-N-(2,2,3,3-tetrachloro-4-oxonaphthalen-1-ylidene)benzenesulfonamide.
Chemical Property Profile of BAS 00459780
Property Insights of BAS 00459780
The XLogP value of 4.71712 indicates that BAS 00459780 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.57 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00459780. Following Lipinski's Rule of Five, BAS 00459780 has 0 hydrogen bond donor(s) and 3 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 00459780?
The CAS number of BAS 00459780 is 139739-77-8.
What is the molecular formula of BAS 00459780?
The molecular formula of BAS 00459780 is C17H11Cl4NO3S.
What is the molecular weight of BAS 00459780?
The molecular weight of BAS 00459780 is 448.92 g/mol.
Where can I buy BAS 00459780?
You can request a quote for BAS 00459780 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00459780?
Yes, KEHONG BIO provides custom synthesis services for BAS 00459780 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.