Relcovaptan
TL;DR: Relcovaptan (CAS 150375-75-0) is a chemical compound with molecular formula C28H27Cl2N3O7S and molecular weight 619.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1-[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-3-hydroxy-2H-indole-2-carbonyl]pyrrolidine-2-carboxamide
Also Known As: Relcovaptan, Relcovaptan [INN], relcovaptanum, [3H]relcovaptan, cis-Ned 19
| Molecular Formula | C28H27Cl2N3O7S |
|---|---|
| Molecular Weight | 619.09 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 619.09467 |
| Heavy Atoms | 41 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 150375-75-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)S(=O)(=O)N2[C@H]([C@](C3=C2C=CC(=C3)Cl)(C4=CC=CC=C4Cl)O)C(=O)N5CCC[C@H]5C(=O)N)OC |
| InChIKey | CEBYCSRFKCEUSW-NAYZPBBASA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Relcovaptan (CAS 150375-75-0), with molecular formula C28H27Cl2N3O7S and molecular weight 619.09 g/mol. IUPAC: (2S)-1-[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-3-hydroxy-2H-indole-2-carbonyl]pyrrolidine-2-carboxamide.
Chemical Property Profile of Relcovaptan
Property Insights of Relcovaptan
The XLogP value of 3.8 indicates that Relcovaptan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 148.0 Ų indicates high polarity, suggesting Relcovaptan may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Relcovaptan has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Relcovaptan?
The CAS number of Relcovaptan is 150375-75-0.
What is the molecular formula of Relcovaptan?
The molecular formula of Relcovaptan is C28H27Cl2N3O7S.
What is the molecular weight of Relcovaptan?
The molecular weight of Relcovaptan is 619.09 g/mol.
Where can I buy Relcovaptan?
You can request a quote for Relcovaptan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Relcovaptan?
Yes, KEHONG BIO provides custom synthesis services for Relcovaptan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.