BAS 00435446
TL;DR: BAS 00435446 (CAS 481642-72-2) is a chemical compound with molecular formula C23H23N5O4S2 and molecular weight 497.12 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-(4-methoxyphenyl)prop-2-enamide
Also Known As: BAS 00435446, (2E)-N-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}carbamothioyl)-3-(4-methoxyphenyl)prop-2-enamide, (E)-N-((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)carbamothioyl)-3-(4-methoxyphenyl)acrylamide, (E)-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide
| Molecular Formula | C23H23N5O4S2 |
|---|---|
| Molecular Weight | 497.12 g/mol |
| LogP | 3.42924 |
| Topological Polar Surface Area | 122.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 497.11914 |
| Heavy Atoms | 34 |
| Complexity | 1302.2214 |
Chemical Identifiers
| CAS Number | 481642-72-2 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)OC)C |
Product Overview
BAS 00435446 (CAS 481642-72-2), with molecular formula C23H23N5O4S2 and molecular weight 497.12 g/mol. IUPAC: (E)-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide.
Chemical Property Profile of BAS 00435446
Property Insights of BAS 00435446
The XLogP value of 3.42924 indicates that BAS 00435446 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.31 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00435446. Following Lipinski's Rule of Five, BAS 00435446 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 00435446?
The CAS number of BAS 00435446 is 481642-72-2.
What is the molecular formula of BAS 00435446?
The molecular formula of BAS 00435446 is C23H23N5O4S2.
What is the molecular weight of BAS 00435446?
The molecular weight of BAS 00435446 is 497.12 g/mol.
Where can I buy BAS 00435446?
You can request a quote for BAS 00435446 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00435446?
Yes, KEHONG BIO provides custom synthesis services for BAS 00435446 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.