BAS 02776001
TL;DR: BAS 02776001 (CAS 335210-76-9) is a chemical compound with molecular formula C25H28N4O5S and molecular weight 496.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
Also Known As: BAS 02776001, N-[4-(2,6-Dimethyl-pyrimidin-4-ylsulfamoyl)-phenyl]-3-(3-methoxy-4-propoxy-pheny, (2E)-N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide, (2E)-N-(4-{[(2,6-dimethylpyrimidin-4-yl)amino]sulfonyl}phenyl)-3-(3-methoxy-4- propoxyphenyl)prop-2-enamide, (E)-N-(4-(N-(2,6-dimethylpyrimidin-4-yl)sulfamoyl)phenyl)-3-(3-methoxy-4-propoxyphenyl)acrylamide
| Molecular Formula | C25H28N4O5S |
|---|---|
| Molecular Weight | 496.18 g/mol |
| LogP | 4.34354 |
| Topological Polar Surface Area | 119.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 496.17804 |
| Heavy Atoms | 35 |
| Complexity | 1301.9338 |
Chemical Identifiers
| CAS Number | 335210-76-9 |
|---|---|
| SMILES | CCCOC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=NC(=C3)C)C)OC |
Product Overview
BAS 02776001 (CAS 335210-76-9), with molecular formula C25H28N4O5S and molecular weight 496.18 g/mol. IUPAC: (E)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide.
Chemical Property Profile of BAS 02776001
Property Insights of BAS 02776001
The XLogP value of 4.34354 indicates that BAS 02776001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.51 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02776001. Following Lipinski's Rule of Five, BAS 02776001 has 2 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 02776001?
The CAS number of BAS 02776001 is 335210-76-9.
What is the molecular formula of BAS 02776001?
The molecular formula of BAS 02776001 is C25H28N4O5S.
What is the molecular weight of BAS 02776001?
The molecular weight of BAS 02776001 is 496.18 g/mol.
Where can I buy BAS 02776001?
You can request a quote for BAS 02776001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02776001?
Yes, KEHONG BIO provides custom synthesis services for BAS 02776001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.