A3787/0160788
TL;DR: A3787/0160788 (CAS 727682-36-2) is a chemical compound with molecular formula C23H22N4O4S and molecular weight 450.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-methyl-1,2-oxazol-3-yl)-3-[4-[4-(thiophene-2-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
Also Known As: A3787/0160788, 1-(5-methyl-1,2-oxazol-3-yl)-3-[4-[4-(thiophene-2-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione, 1-(5-methyl-1,2-oxazol-3-yl)-3-{4-[4-(thiophen-2-ylcarbonyl)phenyl]piperazin-1-yl}pyrrolidine-2,5-dione, 1-(5-methyl-3-isoxazolyl)-3-{4-[4-(2-thienylcarbonyl)phenyl]-1-piperazinyl}-2,5-pyrrolidinedione, 1-(5-METHYL-3-ISOXAZOLYL)-3-{4-[4-(2-THIENYLCARBONYL)PHENYL]PIPERAZINO}DIHYDRO-1H-PYRROLE-2,5-DIONE
| Molecular Formula | C23H22N4O4S |
|---|---|
| Molecular Weight | 450.14 g/mol |
| LogP | 2.72962 |
| Topological Polar Surface Area | 86.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.13617 |
| Heavy Atoms | 32 |
| Complexity | 1147.142 |
Chemical Identifiers
| CAS Number | 727682-36-2 |
|---|---|
| SMILES | CC1=CC(=NO1)N2C(=O)CC(C2=O)N3CCN(CC3)C4=CC=C(C=C4)C(=O)C5=CC=CS5 |
Product Overview
A3787/0160788 (CAS 727682-36-2), with molecular formula C23H22N4O4S and molecular weight 450.14 g/mol. IUPAC: 1-(5-methyl-1,2-oxazol-3-yl)-3-[4-[4-(thiophene-2-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione.
Chemical Property Profile of A3787/0160788
Property Insights of A3787/0160788
The XLogP value of 2.72962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3787/0160788. The TPSA of 86.96 Ų falls within the moderate polarity range, balancing permeability and solubility for A3787/0160788. Following Lipinski's Rule of Five, A3787/0160788 has 0 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 A3787/0160788?
The CAS number of A3787/0160788 is 727682-36-2.
What is the molecular formula of A3787/0160788?
The molecular formula of A3787/0160788 is C23H22N4O4S.
What is the molecular weight of A3787/0160788?
The molecular weight of A3787/0160788 is 450.14 g/mol.
Where can I buy A3787/0160788?
You can request a quote for A3787/0160788 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3787/0160788?
Yes, KEHONG BIO provides custom synthesis services for A3787/0160788 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.