2-Dodecyne-1,12-diol
TL;DR: 2-Dodecyne-1,12-diol (CAS 499199-10-9) is a chemical compound with molecular formula C15H14N2O4 and molecular weight 286.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-3-(pyridin-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid
Also Known As: 2-Dodecyne-1,12-diol, 9735AC, 1-oxo-2-(pyridin-2-ylmethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid, BAS 03162780, 4-oxo-3-(pyridin-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylic acid
| Molecular Formula | C15H14N2O4 |
|---|---|
| Molecular Weight | 286.10 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 79.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.09537 |
| Heavy Atoms | 21 |
| Complexity | 520.0 |
Chemical Identifiers
| CAS Number | 499199-10-9 |
|---|---|
| SMILES | C1C23C=CC(O2)C(C3C(=O)N1CC4=CC=CC=N4)C(=O)O |
| InChIKey | XSEHIJHACSPQOL-UHFFFAOYSA-N |
Product Overview
2-Dodecyne-1,12-diol (CAS 499199-10-9), with molecular formula C15H14N2O4 and molecular weight 286.10 g/mol. IUPAC: 4-oxo-3-(pyridin-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid.
Chemical Property Profile of 2-Dodecyne-1,12-diol
Property Insights of 2-Dodecyne-1,12-diol
The XLogP value of -0.8 indicates that 2-Dodecyne-1,12-diol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Dodecyne-1,12-diol. Following Lipinski's Rule of Five, 2-Dodecyne-1,12-diol has 1 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 2-Dodecyne-1,12-diol?
The CAS number of 2-Dodecyne-1,12-diol is 499199-10-9.
What is the molecular formula of 2-Dodecyne-1,12-diol?
The molecular formula of 2-Dodecyne-1,12-diol is C15H14N2O4.
What is the molecular weight of 2-Dodecyne-1,12-diol?
The molecular weight of 2-Dodecyne-1,12-diol is 286.10 g/mol.
Where can I buy 2-Dodecyne-1,12-diol?
You can request a quote for 2-Dodecyne-1,12-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Dodecyne-1,12-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-Dodecyne-1,12-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.