BAS 00756864
TL;DR: BAS 00756864 (CAS 348164-87-4) is a chemical compound with molecular formula C17H16BrN5O3S2 and molecular weight 480.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-bromophenyl)-N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]prop-2-enamide
Also Known As: BAS 00756864, BIM-0028935.P001, (E)-3-(4-bromophenyl)-N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]prop-2-enamide, (2E)-3-(4-bromophenyl)-N-{[4-(carbamimidoylsulfamoyl)phenyl]carbamothioyl}prop-2-enamide, (E)-3-(4-bromophenyl)-N-((4-(N-carbamimidoylsulfamoyl)phenyl)carbamothioyl)acrylamide
| Molecular Formula | C17H16BrN5O3S2 |
|---|---|
| Molecular Weight | 480.99 g/mol |
| LogP | 1.9376 |
| Topological Polar Surface Area | 139.67 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 480.9878 |
| Heavy Atoms | 28 |
| Complexity | 1029.4674 |
Chemical Identifiers
| CAS Number | 348164-87-4 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N)Br |
Product Overview
BAS 00756864 (CAS 348164-87-4), with molecular formula C17H16BrN5O3S2 and molecular weight 480.99 g/mol. IUPAC: (E)-3-(4-bromophenyl)-N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]prop-2-enamide.
Chemical Property Profile of BAS 00756864
Property Insights of BAS 00756864
The XLogP value of 1.9376 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00756864. The TPSA of 139.67 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00756864. Following Lipinski's Rule of Five, BAS 00756864 has 4 hydrogen bond donor(s) and 4 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 00756864?
The CAS number of BAS 00756864 is 348164-87-4.
What is the molecular formula of BAS 00756864?
The molecular formula of BAS 00756864 is C17H16BrN5O3S2.
What is the molecular weight of BAS 00756864?
The molecular weight of BAS 00756864 is 480.99 g/mol.
Where can I buy BAS 00756864?
You can request a quote for BAS 00756864 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00756864?
Yes, KEHONG BIO provides custom synthesis services for BAS 00756864 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.