EINECS 257-164-3
TL;DR: EINECS 257-164-3 (CAS 51376-18-2) is a chemical compound with molecular formula C16H24N2O3S and molecular weight 324.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylbenzenesulfonate;2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a]azepin-5-ium
Also Known As: EINECS 257-164-3, 2,3,4,6,7,8,9,10-Octahydropyrimido(1,2-a)azepinium (p-tolylsulphonate), 4-methylbenzenesulfonate;2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a]azepin-5-ium, 4-methylbenzenesulfonate; 2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a]azepin-5-ium
| Molecular Formula | C16H24N2O3S |
|---|---|
| Molecular Weight | 324.15 g/mol |
| LogP | 1.86382 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 324.15076 |
| Heavy Atoms | 22 |
| Complexity | 603.29596 |
Chemical Identifiers
| CAS Number | 51376-18-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CCC2=[N+](CC1)CCCN2 |
Product Overview
EINECS 257-164-3 (CAS 51376-18-2), with molecular formula C16H24N2O3S and molecular weight 324.15 g/mol. IUPAC: 4-methylbenzenesulfonate;2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a]azepin-5-ium.
Chemical Property Profile of EINECS 257-164-3
Property Insights of EINECS 257-164-3
The XLogP value of 1.86382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 257-164-3. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 257-164-3. Following Lipinski's Rule of Five, EINECS 257-164-3 has 1 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 EINECS 257-164-3?
The CAS number of EINECS 257-164-3 is 51376-18-2.
What is the molecular formula of EINECS 257-164-3?
The molecular formula of EINECS 257-164-3 is C16H24N2O3S.
What is the molecular weight of EINECS 257-164-3?
The molecular weight of EINECS 257-164-3 is 324.15 g/mol.
Where can I buy EINECS 257-164-3?
You can request a quote for EINECS 257-164-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 257-164-3?
Yes, KEHONG BIO provides custom synthesis services for EINECS 257-164-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.