RefChem:318702
TL;DR: RefChem:318702 (CAS 28519-95-1) is a chemical compound with molecular formula C22H27IN2O and molecular weight 462.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl-dimethyl-[1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)oxypropan-2-yl]azanium iodide
Also Known As: LM 2930, KST-1B2698, Ammonium, (2-((5H-dibenzo(a,d)cyclohepten-5-ylideneamino)oxy)-1-methylethyl)ethyldimethyl-, iodide, 1-[(5h-dibenzo[a,d][7]annulen-5-ylideneamino)oxy]-n-ethyl-n,n-dimethylpropan-2-aminium iodide, methyl 4-[[(4-methoxycarbonylbenzoyl)amino]carbamoyl]benzoate
| Molecular Formula | C22H27IN2O |
|---|---|
| Molecular Weight | 462.12 g/mol |
| LogP | 1.3141 |
| Topological Polar Surface Area | 21.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.11682 |
| Heavy Atoms | 26 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 28519-95-1 |
|---|---|
| SMILES | CC[N+](C)(C)C(C)CON=C1C2=CC=CC=C2C=CC3=CC=CC=C31.[I-] |
| InChIKey | RMEHKJDSVGETLM-UHFFFAOYSA-M |
Product Overview
RefChem:318702 (CAS 28519-95-1), with molecular formula C22H27IN2O and molecular weight 462.12 g/mol. IUPAC: ethyl-dimethyl-[1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)oxypropan-2-yl]azanium iodide.
Chemical Property Profile of RefChem:318702
Property Insights of RefChem:318702
The XLogP value of 1.3141 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:318702. With a topological polar surface area (TPSA) of 21.6 Ų, RefChem:318702 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:318702 has 0 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 RefChem:318702?
The CAS number of RefChem:318702 is 28519-95-1.
What is the molecular formula of RefChem:318702?
The molecular formula of RefChem:318702 is C22H27IN2O.
What is the molecular weight of RefChem:318702?
The molecular weight of RefChem:318702 is 462.12 g/mol.
Where can I buy RefChem:318702?
You can request a quote for RefChem:318702 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:318702?
Yes, KEHONG BIO provides custom synthesis services for RefChem:318702 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.