9-Azabicyclo(4.2.1)non-2-ene-2-methanol, (1R)-, (E)-2-butenedioate (1:1)(salt)
TL;DR: 9-Azabicyclo(4.2.1)non-2-ene-2-methanol, (1R)-, (E)-2-butenedioate (1:1)(salt) (CAS 125736-34-7) is a chemical compound with molecular formula C13H19NO5 and molecular weight 269.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R)-9-azabicyclo[4.2.1]non-2-en-2-yl]methanol;(E)-but-2-enedioic acid
Also Known As: 9-Azabicyclo(4.2.1)non-2-ene-2-methanol, (1R)-, (E)-2-butenedioate (1:1)(salt), [(6R)-9-azabicyclo[4.2.1]non-4-en-5-yl]methanol; (E)-but-2-enedioic acid, IUPAC: [(6R)-9-azabicyclo[4.2.1]non-4-en-5-yl]methanol; But-2-enedioic Acid
| Molecular Formula | C13H19NO5 |
|---|---|
| Molecular Weight | 269.13 g/mol |
| LogP | 0.5313 |
| Topological Polar Surface Area | 106.86 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.1263 |
| Heavy Atoms | 19 |
| Complexity | 372.4948 |
Chemical Identifiers
| CAS Number | 125736-34-7 |
|---|---|
| SMILES | C1CC2CC[C@@H](N2)C(=C1)CO.C(=C/C(=O)O)\C(=O)O |
Product Overview
9-Azabicyclo(4.2.1)non-2-ene-2-methanol, (1R)-, (E)-2-butenedioate (1:1)(salt) (CAS 125736-34-7), with molecular formula C13H19NO5 and molecular weight 269.13 g/mol. IUPAC: [(1R)-9-azabicyclo[4.2.1]non-2-en-2-yl]methanol;(E)-but-2-enedioic acid.
Chemical Property Profile of 9-Azabicyclo(4.2.1)non-2-ene-2-methanol, (1R)-, (E)-2-butenedioate (1:1)(salt)
Property Insights of 9-Azabicyclo(4.2.1)non-2-ene-2-methanol, (1R)-, (E)-2-butenedioate (1:1)(salt)
The XLogP value of 0.5313 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Azabicyclo(4.2.1)non-2-ene-2-methanol, (1R)-, (E)-2-butenedioate (1:1)(salt). The TPSA of 106.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Azabicyclo(4.2.1)non-2-ene-2-methanol, (1R)-, (E)-2-butenedioate (1:1)(salt). Following Lipinski's Rule of Five, 9-Azabicyclo(4.2.1)non-2-ene-2-methanol, (1R)-, (E)-2-butenedioate (1:1)(salt) has 4 hydrogen bond donor(s) and 4 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 9-Azabicyclo(4.2.1)non-2-ene-2-methanol, (1R)-, (E)-2-butenedioate (1:1)(salt)?
The CAS number of 9-Azabicyclo(4.2.1)non-2-ene-2-methanol, (1R)-, (E)-2-butenedioate (1:1)(salt) is 125736-34-7.
What is the molecular formula of 9-Azabicyclo(4.2.1)non-2-ene-2-methanol, (1R)-, (E)-2-butenedioate (1:1)(salt)?
The molecular formula of 9-Azabicyclo(4.2.1)non-2-ene-2-methanol, (1R)-, (E)-2-butenedioate (1:1)(salt) is C13H19NO5.
What is the molecular weight of 9-Azabicyclo(4.2.1)non-2-ene-2-methanol, (1R)-, (E)-2-butenedioate (1:1)(salt)?
The molecular weight of 9-Azabicyclo(4.2.1)non-2-ene-2-methanol, (1R)-, (E)-2-butenedioate (1:1)(salt) is 269.13 g/mol.
Where can I buy 9-Azabicyclo(4.2.1)non-2-ene-2-methanol, (1R)-, (E)-2-butenedioate (1:1)(salt)?
You can request a quote for 9-Azabicyclo(4.2.1)non-2-ene-2-methanol, (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 9-Azabicyclo(4.2.1)non-2-ene-2-methanol, (1R)-, (E)-2-butenedioate (1:1)(salt)?
Yes, KEHONG BIO provides custom synthesis services for 9-Azabicyclo(4.2.1)non-2-ene-2-methanol, (1R)-, (E)-2-butenedioate (1:1)(salt) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.