3-Oxa-9-azabicyclo(3.3.1)nonan-7-ol, 9-methyl-, benzilate (ester), maleate
TL;DR: 3-Oxa-9-azabicyclo(3.3.1)nonan-7-ol, 9-methyl-, benzilate (ester), maleate (CAS 102504-18-7) is a chemical compound with molecular formula C26H29NO8 and molecular weight 483.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioic acid;(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl) 2-hydroxy-2,2-diphenylacetate
Also Known As: 3-Oxa-9-azabicyclo(3.3.1)nonan-7-ol, 9-methyl-, benzilate (ester), maleate, 9-Methyl-3-oxa-9-azabicyclo(3.3.1)nonan-7-ol, benzilic acid ester, maleate, Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, 9-methyl-3-oxa-9-azabicyclo(3.3.1)non-7-yl ester, (Z)-2-butenedioate (1:1) (salt), 3-Oxa-9-aza-bicyclo[3.3.1]nonan-7-ol, 9-methyl-, benzillic acid ester, maleate (1 to 1), (Z)-but-2-enedioic acid; (9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl) 2-hydroxy-2,2-diphenylacetate
| Molecular Formula | C26H29NO8 |
|---|---|
| Molecular Weight | 483.19 g/mol |
| LogP | 2.0391 |
| Topological Polar Surface Area | 133.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 483.18933 |
| Heavy Atoms | 35 |
| Complexity | 970.33203 |
Chemical Identifiers
| CAS Number | 102504-18-7 |
|---|---|
| SMILES | CN1C2CC(CC1COC2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.C(=C\C(=O)O)\C(=O)O |
Product Overview
3-Oxa-9-azabicyclo(3.3.1)nonan-7-ol, 9-methyl-, benzilate (ester), maleate (CAS 102504-18-7), with molecular formula C26H29NO8 and molecular weight 483.19 g/mol. IUPAC: (Z)-but-2-enedioic acid;(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl) 2-hydroxy-2,2-diphenylacetate.
Chemical Property Profile of 3-Oxa-9-azabicyclo(3.3.1)nonan-7-ol, 9-methyl-, benzilate (ester), maleate
Property Insights of 3-Oxa-9-azabicyclo(3.3.1)nonan-7-ol, 9-methyl-, benzilate (ester), maleate
The XLogP value of 2.0391 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxa-9-azabicyclo(3.3.1)nonan-7-ol, 9-methyl-, benzilate (ester), maleate. The TPSA of 133.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Oxa-9-azabicyclo(3.3.1)nonan-7-ol, 9-methyl-, benzilate (ester), maleate. Following Lipinski's Rule of Five, 3-Oxa-9-azabicyclo(3.3.1)nonan-7-ol, 9-methyl-, benzilate (ester), maleate has 3 hydrogen bond donor(s) and 7 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 3-Oxa-9-azabicyclo(3.3.1)nonan-7-ol, 9-methyl-, benzilate (ester), maleate?
The CAS number of 3-Oxa-9-azabicyclo(3.3.1)nonan-7-ol, 9-methyl-, benzilate (ester), maleate is 102504-18-7.
What is the molecular formula of 3-Oxa-9-azabicyclo(3.3.1)nonan-7-ol, 9-methyl-, benzilate (ester), maleate?
The molecular formula of 3-Oxa-9-azabicyclo(3.3.1)nonan-7-ol, 9-methyl-, benzilate (ester), maleate is C26H29NO8.
What is the molecular weight of 3-Oxa-9-azabicyclo(3.3.1)nonan-7-ol, 9-methyl-, benzilate (ester), maleate?
The molecular weight of 3-Oxa-9-azabicyclo(3.3.1)nonan-7-ol, 9-methyl-, benzilate (ester), maleate is 483.19 g/mol.
Where can I buy 3-Oxa-9-azabicyclo(3.3.1)nonan-7-ol, 9-methyl-, benzilate (ester), maleate?
You can request a quote for 3-Oxa-9-azabicyclo(3.3.1)nonan-7-ol, 9-methyl-, benzilate (ester), maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxa-9-azabicyclo(3.3.1)nonan-7-ol, 9-methyl-, benzilate (ester), maleate?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxa-9-azabicyclo(3.3.1)nonan-7-ol, 9-methyl-, benzilate (ester), maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.