BAS 00331762
TL;DR: BAS 00331762 (CAS 329205-63-2) is a chemical compound with molecular formula C15H15N5O3S3 and molecular weight 409.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
Also Known As: BAS 00331762, (E)-N-[(4-guanidinosulfonylphenyl)thiocarbamoyl]-3-(2-thienyl)acrylamide, (E)-N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide, (2E)-N-{[4-(carbamimidoylsulfamoyl)phenyl]carbamothioyl}-3-(thiophen-2-yl)prop-2-enamide, (E)-N-((4-(N-carbamimidoylsulfamoyl)phenyl)carbamothioyl)-3-(thiophen-2-yl)acrylamide
| Molecular Formula | C15H15N5O3S3 |
|---|---|
| Molecular Weight | 409.03 g/mol |
| LogP | 1.2366 |
| Topological Polar Surface Area | 139.67 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.0337 |
| Heavy Atoms | 26 |
| Complexity | 944.923 |
Chemical Identifiers
| CAS Number | 329205-63-2 |
|---|---|
| SMILES | C1=CSC(=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N |
Product Overview
BAS 00331762 (CAS 329205-63-2), with molecular formula C15H15N5O3S3 and molecular weight 409.03 g/mol. IUPAC: (E)-N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide.
Chemical Property Profile of BAS 00331762
Property Insights of BAS 00331762
The XLogP value of 1.2366 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00331762. The TPSA of 139.67 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00331762. Following Lipinski's Rule of Five, BAS 00331762 has 4 hydrogen bond donor(s) and 5 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 00331762?
The CAS number of BAS 00331762 is 329205-63-2.
What is the molecular formula of BAS 00331762?
The molecular formula of BAS 00331762 is C15H15N5O3S3.
What is the molecular weight of BAS 00331762?
The molecular weight of BAS 00331762 is 409.03 g/mol.
Where can I buy BAS 00331762?
You can request a quote for BAS 00331762 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00331762?
Yes, KEHONG BIO provides custom synthesis services for BAS 00331762 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.