Nih 7957
TL;DR: Nih 7957 (CAS 6654-31-5) is a chemical compound with molecular formula C18H25NO and molecular weight 271.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-13-methyl-10-prop-2-enyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Also Known As: 2-Allyl-5-ethyl-2'-hydroxy-9-methyl-6,7-benzomorphan, 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-3-allyl-6-ethyl-11-methyl-, 2,6-Methano-3-benzazocin-8-ol, 3-allyl-6-ethyl-1,2,3,4,5,6-hexahydro-11-methyl-, 6-ethyl-11-methyl-3-(prop-2-en-1-yl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol, 2,6-Methano-3-benzazocin-8-ol, 6-ethyl-1,2,3,4,5,6-hexahydro-11-methyl-3-(2-propenyl)-, [2R-(2.alpha.,6.alpha.,11R*)]-
| Molecular Formula | C18H25NO |
|---|---|
| Molecular Weight | 271.19 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.1936 |
| Heavy Atoms | 20 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 6654-31-5 |
|---|---|
| SMILES | CCC12CCN(C(C1C)CC3=C2C=C(C=C3)O)CC=C |
| InChIKey | DVLZNYFUUUDCOL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nih 7957 (CAS 6654-31-5), with molecular formula C18H25NO and molecular weight 271.19 g/mol. IUPAC: 1-ethyl-13-methyl-10-prop-2-enyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol.
Chemical Property Profile of Nih 7957
Property Insights of Nih 7957
The XLogP value of 3.0 indicates that Nih 7957 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, Nih 7957 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nih 7957 has 1 hydrogen bond donor(s) and 2 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 Nih 7957?
The CAS number of Nih 7957 is 6654-31-5.
What is the molecular formula of Nih 7957?
The molecular formula of Nih 7957 is C18H25NO.
What is the molecular weight of Nih 7957?
The molecular weight of Nih 7957 is 271.19 g/mol.
Where can I buy Nih 7957?
You can request a quote for Nih 7957 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nih 7957?
Yes, KEHONG BIO provides custom synthesis services for Nih 7957 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.