ASN 12771184
TL;DR: ASN 12771184 (CAS 878726-95-5) is a chemical compound with molecular formula C22H22N4O3S and molecular weight 422.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)-5-oxo-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
Also Known As: ASN 12771184, 1-(4-methoxyphenyl)-5-oxo-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide, 1-(4-methoxyphenyl)-5-oxo-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide, [1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-N-[5-(2-phenylethyl)(1,3,4-thiadiaz ol-2-yl)]carboxamide, 1-(4-methoxyphenyl)-5-oxo-N-[(2E)-5-(2-phenylethyl)-1,3,4-thiadiazol-2(3H)-ylidene]pyrrolidine-3-carboxamide
| Molecular Formula | C22H22N4O3S |
|---|---|
| Molecular Weight | 422.14 g/mol |
| LogP | 3.3235 |
| Topological Polar Surface Area | 84.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 422.14127 |
| Heavy Atoms | 30 |
| Complexity | 1020.3766 |
Chemical Identifiers
| CAS Number | 878726-95-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)CCC4=CC=CC=C4 |
Product Overview
ASN 12771184 (CAS 878726-95-5), with molecular formula C22H22N4O3S and molecular weight 422.14 g/mol. IUPAC: 1-(4-methoxyphenyl)-5-oxo-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide.
Chemical Property Profile of ASN 12771184
Property Insights of ASN 12771184
The XLogP value of 3.3235 indicates that ASN 12771184 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.42 Ų falls within the moderate polarity range, balancing permeability and solubility for ASN 12771184. Following Lipinski's Rule of Five, ASN 12771184 has 1 hydrogen bond donor(s) and 6 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 ASN 12771184?
The CAS number of ASN 12771184 is 878726-95-5.
What is the molecular formula of ASN 12771184?
The molecular formula of ASN 12771184 is C22H22N4O3S.
What is the molecular weight of ASN 12771184?
The molecular weight of ASN 12771184 is 422.14 g/mol.
Where can I buy ASN 12771184?
You can request a quote for ASN 12771184 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ASN 12771184?
Yes, KEHONG BIO provides custom synthesis services for ASN 12771184 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.