2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-, 4-nitrobenzoate (ester), monohydrochloride
TL;DR: 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-, 4-nitrobenzoate (ester), monohydrochloride (CAS 137638-85-8) is a chemical compound with molecular formula C26H31ClN2O4 and molecular weight 470.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl] 4-nitrobenzoate;hydrochloride
Also Known As: 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-, 4-nitrobenzoate (ester), monohydrochloride, 6,11-Dimethyl-3-(3-methylbut-2-en-1-yl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-yl 4-nitrobenzoate--hydrogen chloride (1/1), RefChem:1073548
| Molecular Formula | C26H31ClN2O4 |
|---|---|
| Molecular Weight | 470.20 g/mol |
| LogP | 5.7262 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 470.19724 |
| Heavy Atoms | 33 |
| Complexity | 1078.1995 |
Chemical Identifiers
| CAS Number | 137638-85-8 |
|---|---|
| SMILES | CC1C2CC3=C(C1(CCN2CC=C(C)C)C)C=C(C=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-].Cl |
Product Overview
2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-, 4-nitrobenzoate (ester), monohydrochloride (CAS 137638-85-8), with molecular formula C26H31ClN2O4 and molecular weight 470.20 g/mol. IUPAC: [1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl] 4-nitrobenzoate;hydrochloride.
Chemical Property Profile of 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-, 4-nitrobenzoate (ester), monohydrochloride
Property Insights of 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-, 4-nitrobenzoate (ester), monohydrochloride
The XLogP value of 5.7262 indicates that 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-, 4-nitrobenzoate (ester), monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-, 4-nitrobenzoate (ester), monohydrochloride. Following Lipinski's Rule of Five, 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-, 4-nitrobenzoate (ester), monohydrochloride has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-, 4-nitrobenzoate (ester), monohydrochloride?
The CAS number of 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-, 4-nitrobenzoate (ester), monohydrochloride is 137638-85-8.
What is the molecular formula of 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-, 4-nitrobenzoate (ester), monohydrochloride?
The molecular formula of 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-, 4-nitrobenzoate (ester), monohydrochloride is C26H31ClN2O4.
What is the molecular weight of 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-, 4-nitrobenzoate (ester), monohydrochloride?
The molecular weight of 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-, 4-nitrobenzoate (ester), monohydrochloride is 470.20 g/mol.
Where can I buy 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-, 4-nitrobenzoate (ester), monohydrochloride?
You can request a quote for 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-, 4-nitrobenzoate (ester), monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-, 4-nitrobenzoate (ester), monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-, 4-nitrobenzoate (ester), monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.