BAS 04085476
TL;DR: BAS 04085476 (CAS 433948-75-5) is a chemical compound with molecular formula C13H12N4O2S2 and molecular weight 320.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione
Also Known As: BAS 04085476, 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione, 3-((5-amino-1,3,4-thiadiazol-2-yl)thio)-1-(p-tolyl)pyrrolidine-2,5-dione, 3-(5-amino(1,3,4-thiadiazol-2-ylthio))-1-(4-methylphenyl)azolidine-2,5-dione, 3-(5-Amino-[1,3,4]thiadiazol-2-ylsulfanyl)-1-p-tolyl-pyrrolidine-2,5-dione
| Molecular Formula | C13H12N4O2S2 |
|---|---|
| Molecular Weight | 320.04 g/mol |
| LogP | 1.85292 |
| Topological Polar Surface Area | 89.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.04016 |
| Heavy Atoms | 21 |
| Complexity | 698.4518 |
Chemical Identifiers
| CAS Number | 433948-75-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=NN=C(S3)N |
Product Overview
BAS 04085476 (CAS 433948-75-5), with molecular formula C13H12N4O2S2 and molecular weight 320.04 g/mol. IUPAC: 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione.
Chemical Property Profile of BAS 04085476
Property Insights of BAS 04085476
The XLogP value of 1.85292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04085476. The TPSA of 89.18 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04085476. Following Lipinski's Rule of Five, BAS 04085476 has 1 hydrogen bond donor(s) and 7 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 04085476?
The CAS number of BAS 04085476 is 433948-75-5.
What is the molecular formula of BAS 04085476?
The molecular formula of BAS 04085476 is C13H12N4O2S2.
What is the molecular weight of BAS 04085476?
The molecular weight of BAS 04085476 is 320.04 g/mol.
Where can I buy BAS 04085476?
You can request a quote for BAS 04085476 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04085476?
Yes, KEHONG BIO provides custom synthesis services for BAS 04085476 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.