BAS 00435339
TL;DR: BAS 00435339 (CAS 487022-23-1) is a chemical compound with molecular formula C20H18FN5O5S2 and molecular weight 491.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-4-fluorobenzamide
Also Known As: BAS 00435339, N-((4-(N-(2,6-dimethoxypyrimidin-4-yl)sulfamoyl)phenyl)carbamothioyl)-4-fluorobenzamide, N-({4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamothioyl)-4-fluorobenzamide, N-(2,6-Dimethoxy-pyrimidin-4-yl)-4-[3-(4-fluoro-benzoyl)-thioureido]-benzenesulfonamide, N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-4-fluorobenzamide
| Molecular Formula | C20H18FN5O5S2 |
|---|---|
| Molecular Weight | 491.07 g/mol |
| LogP | 2.5605 |
| Topological Polar Surface Area | 131.54 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 491.07333 |
| Heavy Atoms | 33 |
| Complexity | 1246.7579 |
Chemical Identifiers
| CAS Number | 487022-23-1 |
|---|---|
| SMILES | COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)F)OC |
Product Overview
BAS 00435339 (CAS 487022-23-1), with molecular formula C20H18FN5O5S2 and molecular weight 491.07 g/mol. IUPAC: N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-4-fluorobenzamide.
Chemical Property Profile of BAS 00435339
Property Insights of BAS 00435339
The XLogP value of 2.5605 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00435339. The TPSA of 131.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00435339. Following Lipinski's Rule of Five, BAS 00435339 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 00435339?
The CAS number of BAS 00435339 is 487022-23-1.
What is the molecular formula of BAS 00435339?
The molecular formula of BAS 00435339 is C20H18FN5O5S2.
What is the molecular weight of BAS 00435339?
The molecular weight of BAS 00435339 is 491.07 g/mol.
Where can I buy BAS 00435339?
You can request a quote for BAS 00435339 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00435339?
Yes, KEHONG BIO provides custom synthesis services for BAS 00435339 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.