氯化石蒜碱内铵盐
TL;DR: 氯化石蒜碱内铵盐 (CAS 2121-16-6) is a chemical compound with molecular formula C16H12ClNO3 and molecular weight 301.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯化石蒜碱内铵盐
5,7-dioxa-12-azoniapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(18),2,4(8),9,11,15(19),16-heptaen-17-ol chloride
Also Known As: Lycobetaine chloride, Lycobetaine, UNGEREMINE CHLORIDE, [?]ol, 5,7-dioxa-12-azoniapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(18),2,4(8),9,11,15(19),16-heptaen-17-ol;chloride
| Molecular Formula | C16H12ClNO3 |
|---|---|
| Molecular Weight | 301.05 g/mol |
| LogP | -0.7251 |
| Topological Polar Surface Area | 42.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 301.05057 |
| Heavy Atoms | 21 |
| Complexity | 907.2874 |
Chemical Identifiers
| CAS Number | 2121-16-6 |
|---|---|
| SMILES | C1C[N+]2=CC3=CC4=C(C=C3C5=CC(=CC1=C52)O)OCO4.[Cl-] |
Product Overview
氯化石蒜碱内铵盐 (CAS 2121-16-6), with molecular formula C16H12ClNO3 and molecular weight 301.05 g/mol. IUPAC: 5,7-dioxa-12-azoniapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(18),2,4(8),9,11,15(19),16-heptaen-17-ol chloride.
Chemical Property Profile of 氯化石蒜碱内铵盐
Property Insights of 氯化石蒜碱内铵盐
The XLogP value of -0.7251 indicates that 氯化石蒜碱内铵盐 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 42.57 Ų, 氯化石蒜碱内铵盐 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯化石蒜碱内铵盐 has 1 hydrogen bond donor(s) and 3 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 氯化石蒜碱内铵盐?
The CAS number of 氯化石蒜碱内铵盐 is 2121-16-6.
What is the molecular formula of 氯化石蒜碱内铵盐?
The molecular formula of 氯化石蒜碱内铵盐 is C16H12ClNO3.
What is the molecular weight of 氯化石蒜碱内铵盐?
The molecular weight of 氯化石蒜碱内铵盐 is 301.05 g/mol.
Where can I buy 氯化石蒜碱内铵盐?
You can request a quote for 氯化石蒜碱内铵盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯化石蒜碱内铵盐?
Yes, KEHONG BIO provides custom synthesis services for 氯化石蒜碱内铵盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.