BAS 00286662
TL;DR: BAS 00286662 (CAS 330580-15-9) is a chemical compound with molecular formula C20H19N5O5S3 and molecular weight 505.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
Also Known As: BAS 00286662, (2E)-N-({4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamothioyl)-3-(thiophen-2-yl)prop-2-enamide, (2E)-N-{[(4-{[(2,6-dimethoxypyrimidin-4-yl)amino]sulfonyl}phenyl)amino]thioxom ethyl}-3-(2-thienyl)prop-2-enamide, (E)-N-((4-(N-(2,6-dimethoxypyrimidin-4-yl)sulfamoyl)phenyl)carbamothioyl)-3-(thiophen-2-yl)acrylamide, (E)-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
| Molecular Formula | C20H19N5O5S3 |
|---|---|
| Molecular Weight | 505.05 g/mol |
| LogP | 2.8825 |
| Topological Polar Surface Area | 131.54 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 505.05484 |
| Heavy Atoms | 33 |
| Complexity | 1237.5026 |
Chemical Identifiers
| CAS Number | 330580-15-9 |
|---|---|
| SMILES | COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CS3)OC |
Product Overview
BAS 00286662 (CAS 330580-15-9), with molecular formula C20H19N5O5S3 and molecular weight 505.05 g/mol. IUPAC: (E)-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide.
Chemical Property Profile of BAS 00286662
Property Insights of BAS 00286662
The XLogP value of 2.8825 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00286662. The TPSA of 131.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00286662. Following Lipinski's Rule of Five, BAS 00286662 has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00286662?
The CAS number of BAS 00286662 is 330580-15-9.
What is the molecular formula of BAS 00286662?
The molecular formula of BAS 00286662 is C20H19N5O5S3.
What is the molecular weight of BAS 00286662?
The molecular weight of BAS 00286662 is 505.05 g/mol.
Where can I buy BAS 00286662?
You can request a quote for BAS 00286662 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00286662?
Yes, KEHONG BIO provides custom synthesis services for BAS 00286662 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.