Olcegepant hydrochloride
TL;DR: Olcegepant hydrochloride (CAS 586368-06-1) is a chemical compound with molecular formula C38H48Br2ClN9O5 and molecular weight 903.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2R)-1-[[(2S)-6-amino-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]amino]-3-(3,5-dibromo-4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;hydrochloride
Also Known As: Olcegepant hydrochloride, Olcegepant (hydrochloride), BIBN-4096 hydrochloride, EX-A10485A, HY-10095A
| Molecular Formula | C38H48Br2ClN9O5 |
|---|---|
| Molecular Weight | 903.18 g/mol |
| LogP | 4.8294 |
| Topological Polar Surface Area | 176.47 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 903.18335 |
| Heavy Atoms | 55 |
| Complexity | 1786.8488 |
Chemical Identifiers
| CAS Number | 586368-06-1 |
|---|---|
| SMILES | C1CN(CCC1N2CC3=CC=CC=C3NC2=O)C(=O)N[C@H](CC4=CC(=C(C(=C4)Br)O)Br)C(=O)N[C@@H](CCCCN)C(=O)N5CCN(CC5)C6=CC=NC=C6.Cl |
Product Overview
Olcegepant hydrochloride (CAS 586368-06-1), with molecular formula C38H48Br2ClN9O5 and molecular weight 903.18 g/mol. IUPAC: N-[(2R)-1-[[(2S)-6-amino-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]amino]-3-(3,5-dibromo-4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;hydrochloride.
Chemical Property Profile of Olcegepant hydrochloride
Property Insights of Olcegepant hydrochloride
The XLogP value of 4.8294 indicates that Olcegepant hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 176.47 Ų indicates high polarity, suggesting Olcegepant hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Olcegepant hydrochloride has 5 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 Olcegepant hydrochloride?
The CAS number of Olcegepant hydrochloride is 586368-06-1.
What is the molecular formula of Olcegepant hydrochloride?
The molecular formula of Olcegepant hydrochloride is C38H48Br2ClN9O5.
What is the molecular weight of Olcegepant hydrochloride?
The molecular weight of Olcegepant hydrochloride is 903.18 g/mol.
Where can I buy Olcegepant hydrochloride?
You can request a quote for Olcegepant hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Olcegepant hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Olcegepant hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.