Nivalin P
TL;DR: Nivalin P (CAS 58110-73-9) is a chemical compound with molecular formula C22H29BrClN3O3 and molecular weight 497.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,15R)-8-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,12-tetraen-15-ol;pyridin-4-amine;hydrobromide;hydrochloride
Also Known As: Nivalin P, Nivaline P, Nivalin-P, KST-1A6202, KST-1A6204
| Molecular Formula | C22H29BrClN3O3 |
|---|---|
| Molecular Weight | 497.11 g/mol |
| LogP | 3.863 |
| Topological Polar Surface Area | 80.8 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 497.1081 |
| Heavy Atoms | 30 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 58110-73-9 |
|---|---|
| SMILES | CN1CC[C@@]23C[C@@H](CC=C2OC4=CC(=CC(=C34)C1)OC)O.C1=CN=CC=C1N.Cl.Br |
| InChIKey | RCQBRJXXHJPFEW-AURSVBPGSA-N |
Product Overview
Nivalin P (CAS 58110-73-9), with molecular formula C22H29BrClN3O3 and molecular weight 497.11 g/mol. IUPAC: (1S,15R)-8-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,12-tetraen-15-ol;pyridin-4-amine;hydrobromide;hydrochloride.
Chemical Property Profile of Nivalin P
Property Insights of Nivalin P
The XLogP value of 3.863 indicates that Nivalin P is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Nivalin P. Following Lipinski's Rule of Five, Nivalin P has 4 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 Nivalin P?
The CAS number of Nivalin P is 58110-73-9.
What is the molecular formula of Nivalin P?
The molecular formula of Nivalin P is C22H29BrClN3O3.
What is the molecular weight of Nivalin P?
The molecular weight of Nivalin P is 497.11 g/mol.
Where can I buy Nivalin P?
You can request a quote for Nivalin P directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nivalin P?
Yes, KEHONG BIO provides custom synthesis services for Nivalin P and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.