BAS 00435449
TL;DR: BAS 00435449 (CAS 1164524-84-8) is a chemical compound with molecular formula C22H21N5O5S2 and molecular weight 499.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-methoxyphenyl)-N-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]carbamothioyl]prop-2-enamide
Also Known As: BAS 00435449, (E)-3-(4-methoxyphenyl)-N-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]carbamothioyl]prop-2-enamide, 4-{3-[3-(4-Methoxy-phenyl)-acryloyl]-thioureido}-N-(3-methoxy-pyrazin-2-yl)-benzenesulfonamide, 4-[({[3-(4-methoxyphenyl)acryloyl]amino}carbothioyl)amino]-N-(3-methoxy-2-pyrazinyl)benzenesulfonamide, (2E)-3-(4-methoxyphenyl)-N-({4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl}carbamothioyl)prop-2-enamide
| Molecular Formula | C22H21N5O5S2 |
|---|---|
| Molecular Weight | 499.10 g/mol |
| LogP | 2.821 |
| Topological Polar Surface Area | 131.54 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 499.09842 |
| Heavy Atoms | 34 |
| Complexity | 1294.0204 |
Chemical Identifiers
| CAS Number | 1164524-84-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CN=C3OC |
Product Overview
BAS 00435449 (CAS 1164524-84-8), with molecular formula C22H21N5O5S2 and molecular weight 499.10 g/mol. IUPAC: (E)-3-(4-methoxyphenyl)-N-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]carbamothioyl]prop-2-enamide.
Chemical Property Profile of BAS 00435449
Property Insights of BAS 00435449
The XLogP value of 2.821 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00435449. The TPSA of 131.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00435449. Following Lipinski's Rule of Five, BAS 00435449 has 3 hydrogen bond donor(s) and 8 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 00435449?
The CAS number of BAS 00435449 is 1164524-84-8.
What is the molecular formula of BAS 00435449?
The molecular formula of BAS 00435449 is C22H21N5O5S2.
What is the molecular weight of BAS 00435449?
The molecular weight of BAS 00435449 is 499.10 g/mol.
Where can I buy BAS 00435449?
You can request a quote for BAS 00435449 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00435449?
Yes, KEHONG BIO provides custom synthesis services for BAS 00435449 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.