OT antagonist 1
TL;DR: OT antagonist 1 (CAS 479080-38-1) is a chemical compound with molecular formula C22H22N4O3 and molecular weight 390.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,4Z)-4-methoxyimino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[4-(2-methylphenyl)phenyl]methanone
Also Known As: OT antagonist 1, [(2S,4Z)-4-methoxyimino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[4-(2-methylphenyl)phenyl]methanone
| Molecular Formula | C22H22N4O3 |
|---|---|
| Molecular Weight | 390.17 g/mol |
| LogP | 3.94304 |
| Topological Polar Surface Area | 80.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.1692 |
| Heavy Atoms | 29 |
| Complexity | 1055.9292 |
Chemical Identifiers
| CAS Number | 479080-38-1 |
|---|---|
| SMILES | CC1=CC=CC=C1C2=CC=C(C=C2)C(=O)N3C/C(=N\OC)/C[C@H]3C4=NC(=NO4)C |
Product Overview
OT antagonist 1 (CAS 479080-38-1), with molecular formula C22H22N4O3 and molecular weight 390.17 g/mol. IUPAC: [(2S,4Z)-4-methoxyimino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[4-(2-methylphenyl)phenyl]methanone.
Chemical Property Profile of OT antagonist 1
Property Insights of OT antagonist 1
The XLogP value of 3.94304 indicates that OT antagonist 1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.82 Ų falls within the moderate polarity range, balancing permeability and solubility for OT antagonist 1. Following Lipinski's Rule of Five, OT antagonist 1 has 0 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 OT antagonist 1?
The CAS number of OT antagonist 1 is 479080-38-1.
What is the molecular formula of OT antagonist 1?
The molecular formula of OT antagonist 1 is C22H22N4O3.
What is the molecular weight of OT antagonist 1?
The molecular weight of OT antagonist 1 is 390.17 g/mol.
Where can I buy OT antagonist 1?
You can request a quote for OT antagonist 1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for OT antagonist 1?
Yes, KEHONG BIO provides custom synthesis services for OT antagonist 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.