Sodium methyl 1-benzyl-1,2,5,6-tetrahydro-4-oxidonicotinate
TL;DR: Sodium methyl 1-benzyl-1,2,5,6-tetrahydro-4-oxidonicotinate (CAS 97392-69-3) is a chemical compound with molecular formula C14H16NNaO3 and molecular weight 269.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 1-benzyl-5-methoxycarbonyl-3,6-dihydro-2H-pyridin-4-olate
Also Known As: Sodium methyl 1-benzyl-1,2,5,6-tetrahydro-4-oxidonicotinate, EINECS 306-704-7, sodium;1-benzyl-5-methoxycarbonyl-3,6-dihydro-2H-pyridin-4-olate, sodium 1-benzyl-5-(methoxycarbonyl)-1,2,3,6-tetrahydropyridin-4-olate, Sodium 1-benzyl-3-methoxycarbonyl-5,6-dihydro-2H-pyridin-4-olate
| Molecular Formula | C14H16NNaO3 |
|---|---|
| Molecular Weight | 269.10 g/mol |
| LogP | -2.3163 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.10278 |
| Heavy Atoms | 19 |
| Complexity | 459.0187 |
Chemical Identifiers
| CAS Number | 97392-69-3 |
|---|---|
| SMILES | COC(=O)C1=C(CCN(C1)CC2=CC=CC=C2)[O-].[Na+] |
Product Overview
Sodium methyl 1-benzyl-1,2,5,6-tetrahydro-4-oxidonicotinate (CAS 97392-69-3), with molecular formula C14H16NNaO3 and molecular weight 269.10 g/mol. IUPAC: sodium 1-benzyl-5-methoxycarbonyl-3,6-dihydro-2H-pyridin-4-olate.
Chemical Property Profile of Sodium methyl 1-benzyl-1,2,5,6-tetrahydro-4-oxidonicotinate
Property Insights of Sodium methyl 1-benzyl-1,2,5,6-tetrahydro-4-oxidonicotinate
The XLogP value of -2.3163 indicates that Sodium methyl 1-benzyl-1,2,5,6-tetrahydro-4-oxidonicotinate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.6 Ų, Sodium methyl 1-benzyl-1,2,5,6-tetrahydro-4-oxidonicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sodium methyl 1-benzyl-1,2,5,6-tetrahydro-4-oxidonicotinate has 0 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 Sodium methyl 1-benzyl-1,2,5,6-tetrahydro-4-oxidonicotinate?
The CAS number of Sodium methyl 1-benzyl-1,2,5,6-tetrahydro-4-oxidonicotinate is 97392-69-3.
What is the molecular formula of Sodium methyl 1-benzyl-1,2,5,6-tetrahydro-4-oxidonicotinate?
The molecular formula of Sodium methyl 1-benzyl-1,2,5,6-tetrahydro-4-oxidonicotinate is C14H16NNaO3.
What is the molecular weight of Sodium methyl 1-benzyl-1,2,5,6-tetrahydro-4-oxidonicotinate?
The molecular weight of Sodium methyl 1-benzyl-1,2,5,6-tetrahydro-4-oxidonicotinate is 269.10 g/mol.
Where can I buy Sodium methyl 1-benzyl-1,2,5,6-tetrahydro-4-oxidonicotinate?
You can request a quote for Sodium methyl 1-benzyl-1,2,5,6-tetrahydro-4-oxidonicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium methyl 1-benzyl-1,2,5,6-tetrahydro-4-oxidonicotinate?
Yes, KEHONG BIO provides custom synthesis services for Sodium methyl 1-benzyl-1,2,5,6-tetrahydro-4-oxidonicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.