烟酸五亚甲酯
TL;DR: 烟酸五亚甲酯 (CAS 101952-68-5) is a chemical compound with molecular formula C17H18N2O4 and molecular weight 314.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
烟酸五亚甲酯
5-(pyridine-3-carbonyloxy)pentyl pyridine-3-carboxylate
Also Known As: Pentamethylene nicotinate, pentamethylenenicotinate, Pentamethylene=bis(nicotinate), NICOTINIC ACID, PENTAMETHYLENE ESTER, Pentane-1,5-diyl dipyridine-3-carboxylate
| Molecular Formula | C17H18N2O4 |
|---|---|
| Molecular Weight | 314.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 314.12665 |
| Heavy Atoms | 23 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 101952-68-5 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(=O)OCCCCCOC(=O)C2=CN=CC=C2 |
| InChIKey | QXAAJEOJGGACLR-UHFFFAOYSA-N |
Product Overview
烟酸五亚甲酯 (CAS 101952-68-5), with molecular formula C17H18N2O4 and molecular weight 314.13 g/mol. IUPAC: 5-(pyridine-3-carbonyloxy)pentyl pyridine-3-carboxylate.
Chemical Property Profile of 烟酸五亚甲酯
Property Insights of 烟酸五亚甲酯
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 烟酸五亚甲酯. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 烟酸五亚甲酯. Following Lipinski's Rule of Five, 烟酸五亚甲酯 has 0 hydrogen bond donor(s) and 6 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 烟酸五亚甲酯?
The CAS number of 烟酸五亚甲酯 is 101952-68-5.
What is the molecular formula of 烟酸五亚甲酯?
The molecular formula of 烟酸五亚甲酯 is C17H18N2O4.
What is the molecular weight of 烟酸五亚甲酯?
The molecular weight of 烟酸五亚甲酯 is 314.13 g/mol.
Where can I buy 烟酸五亚甲酯?
You can request a quote for 烟酸五亚甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 烟酸五亚甲酯?
Yes, KEHONG BIO provides custom synthesis services for 烟酸五亚甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.