EINECS 257-121-9
TL;DR: EINECS 257-121-9 (CAS 51301-35-0) is a chemical compound with molecular formula C14H23N3O6S and molecular weight 361.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(dimethylamino)propyl]-2-hydroxy-1,4-dimethyl-6-oxopyridin-1-ium-3-carbonitrile;methyl sulfate
Also Known As: EINECS 257-121-9, (3-Cyano-6-hydroxy-4-methyl-2-oxo-(2H)-pyridine-1-propyl)(trimethyl)ammonium methyl sulphate, 1(2H)-Pyridinepropanaminium, 3-cyano-6-hydroxy-N,N,N,4-tetramethyl-2-oxo-, methyl sulfate (salt), 1-[3-(dimethylamino)propyl]-2-hydroxy-1,4-dimethyl-6-oxopyridin-1-ium-3-carbonitrile; methyl sulfate
| Molecular Formula | C14H23N3O6S |
|---|---|
| Molecular Weight | 361.13 g/mol |
| LogP | 0.25738 |
| Topological Polar Surface Area | 130.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.13077 |
| Heavy Atoms | 24 |
| Complexity | 675.1136 |
Chemical Identifiers
| CAS Number | 51301-35-0 |
|---|---|
| SMILES | CC1=CC(=O)[N+](C(=C1C#N)O)(C)CCCN(C)C.COS(=O)(=O)[O-] |
Product Overview
EINECS 257-121-9 (CAS 51301-35-0), with molecular formula C14H23N3O6S and molecular weight 361.13 g/mol. IUPAC: 1-[3-(dimethylamino)propyl]-2-hydroxy-1,4-dimethyl-6-oxopyridin-1-ium-3-carbonitrile;methyl sulfate.
Chemical Property Profile of EINECS 257-121-9
Property Insights of EINECS 257-121-9
The XLogP value of 0.25738 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 257-121-9. The TPSA of 130.76 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 257-121-9. Following Lipinski's Rule of Five, EINECS 257-121-9 has 1 hydrogen bond donor(s) and 8 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 EINECS 257-121-9?
The CAS number of EINECS 257-121-9 is 51301-35-0.
What is the molecular formula of EINECS 257-121-9?
The molecular formula of EINECS 257-121-9 is C14H23N3O6S.
What is the molecular weight of EINECS 257-121-9?
The molecular weight of EINECS 257-121-9 is 361.13 g/mol.
Where can I buy EINECS 257-121-9?
You can request a quote for EINECS 257-121-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 257-121-9?
Yes, KEHONG BIO provides custom synthesis services for EINECS 257-121-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.