Lixivaptan
TL;DR: Lixivaptan (CAS 168079-32-1) is a chemical compound with molecular formula C27H21ClFN3O2 and molecular weight 473.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-chloro-4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]-5-fluoro-2-methylbenzamide
Also Known As: Lixivaptan, Lixar, lixivaptanum, WAY-VPA-985, VPA985
| Molecular Formula | C27H21ClFN3O2 |
|---|---|
| Molecular Weight | 473.13 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 54.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 473.13065 |
| Heavy Atoms | 34 |
| Complexity | 753.0 |
Chemical Identifiers
| CAS Number | 168079-32-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)F)C(=O)NC2=CC(=C(C=C2)C(=O)N3CC4=CC=CN4CC5=CC=CC=C53)Cl |
| InChIKey | PPHTXRNHTVLQED-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Lixivaptan (CAS 168079-32-1), with molecular formula C27H21ClFN3O2 and molecular weight 473.13 g/mol. IUPAC: N-[3-chloro-4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]-5-fluoro-2-methylbenzamide.
Chemical Property Profile of Lixivaptan
Property Insights of Lixivaptan
The XLogP value of 4.8 indicates that Lixivaptan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.3 Ų, Lixivaptan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Lixivaptan has 1 hydrogen bond donor(s) and 3 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 Lixivaptan?
The CAS number of Lixivaptan is 168079-32-1.
What is the molecular formula of Lixivaptan?
The molecular formula of Lixivaptan is C27H21ClFN3O2.
What is the molecular weight of Lixivaptan?
The molecular weight of Lixivaptan is 473.13 g/mol.
Where can I buy Lixivaptan?
You can request a quote for Lixivaptan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lixivaptan?
Yes, KEHONG BIO provides custom synthesis services for Lixivaptan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.