Naltrindole
TL;DR: Naltrindole (CAS 111469-81-9) is a chemical compound with molecular formula C26H26N2O3 and molecular weight 414.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,13R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-2,16-diol
Also Known As: Naltrindole, Naltrindole hydrochloride, AB00640021-06, BRD-A47342814-003-01-8, (1S,2S,13R)-22-(Cyclopropylmethyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-2,16-diol
| Molecular Formula | C26H26N2O3 |
|---|---|
| Molecular Weight | 414.19 g/mol |
| LogP | 3.5726 |
| Topological Polar Surface Area | 68.72 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 414.19434 |
| Heavy Atoms | 31 |
| Complexity | 1277.1378 |
Chemical Identifiers
| CAS Number | 111469-81-9 |
|---|---|
| SMILES | C1CC1CN2CC[C@]34[C@@H]5C6=C(C[C@]3(C2CC7=C4C(=C(C=C7)O)O5)O)C8=CC=CC=C8N6 |
Product Overview
Naltrindole (CAS 111469-81-9), with molecular formula C26H26N2O3 and molecular weight 414.19 g/mol. IUPAC: (1S,2S,13R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-2,16-diol.
Chemical Property Profile of Naltrindole
Property Insights of Naltrindole
The XLogP value of 3.5726 indicates that Naltrindole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.72 Ų falls within the moderate polarity range, balancing permeability and solubility for Naltrindole. Following Lipinski's Rule of Five, Naltrindole has 3 hydrogen bond donor(s) and 4 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 Naltrindole?
The CAS number of Naltrindole is 111469-81-9.
What is the molecular formula of Naltrindole?
The molecular formula of Naltrindole is C26H26N2O3.
What is the molecular weight of Naltrindole?
The molecular weight of Naltrindole is 414.19 g/mol.
Where can I buy Naltrindole?
You can request a quote for Naltrindole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Naltrindole?
Yes, KEHONG BIO provides custom synthesis services for Naltrindole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.