BAS 00331758
TL;DR: BAS 00331758 (CAS 329205-57-4) is a chemical compound with molecular formula C17H16FN5O3S2 and molecular weight 421.07 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-(4-fluorophenyl)prop-2-enamide
Also Known As: BAS 00331758, BRD-K22369486-001-01-9, (2E)-N-{[4-(carbamimidoylsulfamoyl)phenyl]carbamothioyl}-3-(4-fluorophenyl)prop-2-enamide, (E)-N-((4-(N-carbamimidoylsulfamoyl)phenyl)carbamothioyl)-3-(4-fluorophenyl)acrylamide, (2E)-N-[({4-[(amidinoamino)sulfonyl]phenyl}amino)thioxomethyl]-3-(4-fluorophen yl)prop-2-enamide
| Molecular Formula | C17H16FN5O3S2 |
|---|---|
| Molecular Weight | 421.07 g/mol |
| LogP | 1.3142 |
| Topological Polar Surface Area | 139.67 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.06787 |
| Heavy Atoms | 28 |
| Complexity | 1029.4674 |
Chemical Identifiers
| CAS Number | 329205-57-4 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N)F |
Product Overview
BAS 00331758 (CAS 329205-57-4), with molecular formula C17H16FN5O3S2 and molecular weight 421.07 g/mol. IUPAC: (E)-N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide.
Chemical Property Profile of BAS 00331758
Property Insights of BAS 00331758
The XLogP value of 1.3142 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00331758. The TPSA of 139.67 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00331758. Following Lipinski's Rule of Five, BAS 00331758 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 00331758?
The CAS number of BAS 00331758 is 329205-57-4.
What is the molecular formula of BAS 00331758?
The molecular formula of BAS 00331758 is C17H16FN5O3S2.
What is the molecular weight of BAS 00331758?
The molecular weight of BAS 00331758 is 421.07 g/mol.
Where can I buy BAS 00331758?
You can request a quote for BAS 00331758 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00331758?
Yes, KEHONG BIO provides custom synthesis services for BAS 00331758 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.