BAS 00286660
TL;DR: BAS 00286660 (CAS 330580-13-7) is a chemical compound with molecular formula C20H19N5O3S3 and molecular weight 473.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
Also Known As: BAS 00286660, (2E)-N-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}carbamothioyl)-3-(thiophen-2-yl)prop-2-enamide, (E)-N-((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)carbamothioyl)-3-(thiophen-2-yl)acrylamide, (E)-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide, N~1~-(4,6-DIMETHYL-2-PYRIMIDINYL)-4-[({[3-(2-THIENYL)ACRYLOYL]AMINO}CARBOTHIOYL)AMINO]-1-BENZENESULFONAMIDE
| Molecular Formula | C20H19N5O3S3 |
|---|---|
| Molecular Weight | 473.06 g/mol |
| LogP | 3.48214 |
| Topological Polar Surface Area | 113.08 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 473.065 |
| Heavy Atoms | 31 |
| Complexity | 1201.2062 |
Chemical Identifiers
| CAS Number | 330580-13-7 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CS3)C |
Product Overview
BAS 00286660 (CAS 330580-13-7), with molecular formula C20H19N5O3S3 and molecular weight 473.06 g/mol. IUPAC: (E)-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide.
Chemical Property Profile of BAS 00286660
Property Insights of BAS 00286660
The XLogP value of 3.48214 indicates that BAS 00286660 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.08 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00286660. Following Lipinski's Rule of Five, BAS 00286660 has 3 hydrogen bond donor(s) and 7 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 00286660?
The CAS number of BAS 00286660 is 330580-13-7.
What is the molecular formula of BAS 00286660?
The molecular formula of BAS 00286660 is C20H19N5O3S3.
What is the molecular weight of BAS 00286660?
The molecular weight of BAS 00286660 is 473.06 g/mol.
Where can I buy BAS 00286660?
You can request a quote for BAS 00286660 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00286660?
Yes, KEHONG BIO provides custom synthesis services for BAS 00286660 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.