Ethanone, 1-(9-azabicyclo(4.2.1)non-2-en-2-yl)-2-hydroxy-, (1R)-, (E)-2-butenedioate (1:1) (salt)
TL;DR: Ethanone, 1-(9-azabicyclo(4.2.1)non-2-en-2-yl)-2-hydroxy-, (1R)-, (E)-2-butenedioate (1:1) (salt) (CAS 125736-36-9) is a chemical compound with molecular formula C14H19NO6 and molecular weight 297.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(1R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-2-hydroxyethanone;(E)-but-2-enedioic acid
Also Known As: Ethanone, 1-(9-azabicyclo(4.2.1)non-2-en-2-yl)-2-hydroxy-, (1R)-, (E)-2-butenedioate (1:1) (salt), 1-[(6R)-9-azabicyclo[4.2.1]non-4-en-5-yl]-2-hydroxyethanone; (E)-but-2-enedioic acid, IUPAC: 1-[(6R)-9-azabicyclo[4.2.1]non-4-en-5-yl]-2-hydroxy-ethanone; But-2-enedioic Acid
| Molecular Formula | C14H19NO6 |
|---|---|
| Molecular Weight | 297.12 g/mol |
| LogP | 0.1004 |
| Topological Polar Surface Area | 123.93 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.12125 |
| Heavy Atoms | 21 |
| Complexity | 452.0847 |
Chemical Identifiers
| CAS Number | 125736-36-9 |
|---|---|
| SMILES | C1CC2CC[C@@H](N2)C(=C1)C(=O)CO.C(=C/C(=O)O)\C(=O)O |
Product Overview
Ethanone, 1-(9-azabicyclo(4.2.1)non-2-en-2-yl)-2-hydroxy-, (1R)-, (E)-2-butenedioate (1:1) (salt) (CAS 125736-36-9), with molecular formula C14H19NO6 and molecular weight 297.12 g/mol. IUPAC: 1-[(1R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-2-hydroxyethanone;(E)-but-2-enedioic acid.
Chemical Property Profile of Ethanone, 1-(9-azabicyclo(4.2.1)non-2-en-2-yl)-2-hydroxy-, (1R)-, (E)-2-butenedioate (1:1) (salt)
Property Insights of Ethanone, 1-(9-azabicyclo(4.2.1)non-2-en-2-yl)-2-hydroxy-, (1R)-, (E)-2-butenedioate (1:1) (salt)
The XLogP value of 0.1004 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 1-(9-azabicyclo(4.2.1)non-2-en-2-yl)-2-hydroxy-, (1R)-, (E)-2-butenedioate (1:1) (salt). The TPSA of 123.93 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanone, 1-(9-azabicyclo(4.2.1)non-2-en-2-yl)-2-hydroxy-, (1R)-, (E)-2-butenedioate (1:1) (salt). Following Lipinski's Rule of Five, Ethanone, 1-(9-azabicyclo(4.2.1)non-2-en-2-yl)-2-hydroxy-, (1R)-, (E)-2-butenedioate (1:1) (salt) has 4 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 Ethanone, 1-(9-azabicyclo(4.2.1)non-2-en-2-yl)-2-hydroxy-, (1R)-, (E)-2-butenedioate (1:1) (salt)?
The CAS number of Ethanone, 1-(9-azabicyclo(4.2.1)non-2-en-2-yl)-2-hydroxy-, (1R)-, (E)-2-butenedioate (1:1) (salt) is 125736-36-9.
What is the molecular formula of Ethanone, 1-(9-azabicyclo(4.2.1)non-2-en-2-yl)-2-hydroxy-, (1R)-, (E)-2-butenedioate (1:1) (salt)?
The molecular formula of Ethanone, 1-(9-azabicyclo(4.2.1)non-2-en-2-yl)-2-hydroxy-, (1R)-, (E)-2-butenedioate (1:1) (salt) is C14H19NO6.
What is the molecular weight of Ethanone, 1-(9-azabicyclo(4.2.1)non-2-en-2-yl)-2-hydroxy-, (1R)-, (E)-2-butenedioate (1:1) (salt)?
The molecular weight of Ethanone, 1-(9-azabicyclo(4.2.1)non-2-en-2-yl)-2-hydroxy-, (1R)-, (E)-2-butenedioate (1:1) (salt) is 297.12 g/mol.
Where can I buy Ethanone, 1-(9-azabicyclo(4.2.1)non-2-en-2-yl)-2-hydroxy-, (1R)-, (E)-2-butenedioate (1:1) (salt)?
You can request a quote for Ethanone, 1-(9-azabicyclo(4.2.1)non-2-en-2-yl)-2-hydroxy-, (1R)-, (E)-2-butenedioate (1:1) (salt) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-(9-azabicyclo(4.2.1)non-2-en-2-yl)-2-hydroxy-, (1R)-, (E)-2-butenedioate (1:1) (salt)?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-(9-azabicyclo(4.2.1)non-2-en-2-yl)-2-hydroxy-, (1R)-, (E)-2-butenedioate (1:1) (salt) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.