OT-R antagonist 2
TL;DR: OT-R antagonist 2 (CAS 364071-17-0) is a chemical compound with molecular formula C28H29N3O4 and molecular weight 471.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,4E)-N-[(2S)-2-hydroxy-2-phenylethyl]-4-methoxyimino-1-[4-(2-methylphenyl)benzoyl]pyrrolidine-2-carboxamide
Also Known As: OT-R antagonist 2, OT-R antagonist 1, Oxytocin receptor antagonist 1, LS-192629OT-R antagonist 1, HY-15015A
| Molecular Formula | C28H29N3O4 |
|---|---|
| Molecular Weight | 471.22 g/mol |
| LogP | 3.72872 |
| Topological Polar Surface Area | 91.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 471.21582 |
| Heavy Atoms | 35 |
| Complexity | 1208.3867 |
Chemical Identifiers
| CAS Number | 364071-17-0 |
|---|---|
| SMILES | CC1=CC=CC=C1C2=CC=C(C=C2)C(=O)N3C/C(=N/OC)/C[C@H]3C(=O)NC[C@H](C4=CC=CC=C4)O |
Product Overview
OT-R antagonist 2 (CAS 364071-17-0), with molecular formula C28H29N3O4 and molecular weight 471.22 g/mol. IUPAC: (2S,4E)-N-[(2S)-2-hydroxy-2-phenylethyl]-4-methoxyimino-1-[4-(2-methylphenyl)benzoyl]pyrrolidine-2-carboxamide.
Chemical Property Profile of OT-R antagonist 2
Property Insights of OT-R antagonist 2
The XLogP value of 3.72872 indicates that OT-R antagonist 2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.23 Ų falls within the moderate polarity range, balancing permeability and solubility for OT-R antagonist 2. Following Lipinski's Rule of Five, OT-R antagonist 2 has 2 hydrogen bond donor(s) and 5 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-R antagonist 2?
The CAS number of OT-R antagonist 2 is 364071-17-0.
What is the molecular formula of OT-R antagonist 2?
The molecular formula of OT-R antagonist 2 is C28H29N3O4.
What is the molecular weight of OT-R antagonist 2?
The molecular weight of OT-R antagonist 2 is 471.22 g/mol.
Where can I buy OT-R antagonist 2?
You can request a quote for OT-R antagonist 2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for OT-R antagonist 2?
Yes, KEHONG BIO provides custom synthesis services for OT-R antagonist 2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.