BAS 00413548
TL;DR: BAS 00413548 (CAS 331445-76-2) is a chemical compound with molecular formula C16H15N5O4S3 and molecular weight 437.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamothioyl]furan-2-carboxamide
Also Known As: BAS 00413548, BRD-K80909721-001-01-6, N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-{[(2-furoylamino)carbothioyl]amino}benzenesulfonamide, N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamothioyl]furan-2-carboxamide, N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-N'-(furan-2-carbonyl)carbamimidothioic acid
| Molecular Formula | C16H15N5O4S3 |
|---|---|
| Molecular Weight | 437.03 g/mol |
| LogP | 2.6211 |
| Topological Polar Surface Area | 126.22 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 437.02863 |
| Heavy Atoms | 28 |
| Complexity | 1075.9498 |
Chemical Identifiers
| CAS Number | 331445-76-2 |
|---|---|
| SMILES | CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CO3 |
Product Overview
BAS 00413548 (CAS 331445-76-2), with molecular formula C16H15N5O4S3 and molecular weight 437.03 g/mol. IUPAC: N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamothioyl]furan-2-carboxamide.
Chemical Property Profile of BAS 00413548
Property Insights of BAS 00413548
The XLogP value of 2.6211 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00413548. The TPSA of 126.22 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00413548. Following Lipinski's Rule of Five, BAS 00413548 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 00413548?
The CAS number of BAS 00413548 is 331445-76-2.
What is the molecular formula of BAS 00413548?
The molecular formula of BAS 00413548 is C16H15N5O4S3.
What is the molecular weight of BAS 00413548?
The molecular weight of BAS 00413548 is 437.03 g/mol.
Where can I buy BAS 00413548?
You can request a quote for BAS 00413548 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00413548?
Yes, KEHONG BIO provides custom synthesis services for BAS 00413548 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.