纳曲苯
TL;DR: 纳曲苯 (CAS 111555-58-9) is a chemical compound with molecular formula C26H25NO4 and molecular weight 415.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
纳曲苯
22-(cyclopropylmethyl)-11,14-dioxa-22-azaheptacyclo[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: Naltriben, Naltriben mesylate, naltrindole benzofuran, BRD-A21723284-066-01-7, 22-(Cyclopropylmethyl)-11,14-dioxa-22-azaheptacyclo[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 | C26H25NO4 |
|---|---|
| Molecular Weight | 415.18 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 415.17834 |
| Heavy Atoms | 31 |
| Complexity | 773.0 |
Chemical Identifiers
| CAS Number | 111555-58-9 |
|---|---|
| SMILES | C1CC1CN2CCC34C5C6=C(CC3(C2CC7=C4C(=C(C=C7)O)O5)O)C8=CC=CC=C8O6 |
| InChIKey | ZHVWWEYETMPAMX-UHFFFAOYSA-N |
Product Overview
纳曲苯 (CAS 111555-58-9), with molecular formula C26H25NO4 and molecular weight 415.18 g/mol. IUPAC: 22-(cyclopropylmethyl)-11,14-dioxa-22-azaheptacyclo[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 纳曲苯
Property Insights of 纳曲苯
The XLogP value of 3.6 indicates that 纳曲苯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 纳曲苯. Following Lipinski's Rule of Five, 纳曲苯 has 2 hydrogen bond donor(s) and 5 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 纳曲苯?
The CAS number of 纳曲苯 is 111555-58-9.
What is the molecular formula of 纳曲苯?
The molecular formula of 纳曲苯 is C26H25NO4.
What is the molecular weight of 纳曲苯?
The molecular weight of 纳曲苯 is 415.18 g/mol.
Where can I buy 纳曲苯?
You can request a quote for 纳曲苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 纳曲苯?
Yes, KEHONG BIO provides custom synthesis services for 纳曲苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.